PubChemLite - 2,6-cyclolycopene-1,5-diol (C40H58O2)

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)/C=C/C1C(CCC1(C)O)C(C)(C)O)/C)/C)/C)C

InChI

InChI=1S/C40H58O2/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-38-37(39(8,9)41)29-30-40(38,10)42/h11-12,14-19,21-28,37-38,41-42H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+

InChIKey

VDFVQEJGOSCZNZ-HNNISBQLSA-N

Compound name

2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3-(2-hydroxypropan-2-yl)-1-methylcyclopentan-1-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]+	571.45094	233.0
[M+Na]+	593.43288	247.1
[M-H]-	569.43638	232.4
[M+NH4]+	588.47748	241.4
[M+K]+	609.40682	247.2
[M+H-H2O]+	553.44092	232.9
[M+HCOO]-	615.44186	237.5
[M+CH3COO]-	629.45751	253.8
[M+Na-2H]-	591.41833	223.5
[M]+	570.44311	231.4
[M]-	570.44421	231.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.45094

233.0

[M+Na]+

593.43288

247.1

[M-H]-

569.43638

232.4

[M+NH4]+

588.47748

241.4

[M+K]+

609.40682

247.2

[M+H-H2O]+

553.44092

232.9

[M+HCOO]-

615.44186

237.5

[M+CH3COO]-

629.45751

253.8

[M+Na-2H]-

591.41833

223.5

[M]+

570.44311

231.4

[M]-

570.44421

231.4

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

2,6-cyclolycopene-1,5-diol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe