PubChemLite - (4e,6e,10e,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,10,12,14,16,18,20,22,24,26,30-dodecaen-2-ol (C40H58O)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/C=C/CC(C)(C)O)/C)/C)/C)C

InChI

InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-16,18-21,23-28,30-31,41H,13,17,22,29,32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+

InChIKey

BOBVKJDRXNXDQH-XMHGMLAKSA-N

Compound name

(4E,6E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,10,12,14,16,18,20,22,24,26,30-dodecaen-2-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	555.45608	232.6
[M+Na]+	577.43802	246.4
[M-H]-	553.44152	231.5
[M+NH4]+	572.48262	243.0
[M+K]+	593.41196	249.0
[M+H-H2O]+	537.44606	233.0
[M+HCOO]-	599.44700	233.1
[M+CH3COO]-	613.46265	254.9
[M+Na-2H]-	575.42347	224.9
[M]+	554.44825	231.9
[M]-	554.44935	231.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

555.45608

232.6

[M+Na]+

577.43802

246.4

[M-H]-

553.44152

231.5

[M+NH4]+

572.48262

243.0

[M+K]+

593.41196

249.0

[M+H-H2O]+

537.44606

233.0

[M+HCOO]-

599.44700

233.1

[M+CH3COO]-

613.46265

254.9

[M+Na-2H]-

575.42347

224.9

[M]+

554.44825

231.9

[M]-

554.44935

231.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(4e,6e,10e,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,10,12,14,16,18,20,22,24,26,30-dodecaen-2-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe