PubChemLite - (13z)-lycopen-20-ol (C40H56O)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C40H56O/c1-33(2)18-12-21-36(6)24-15-27-38(8)26-14-23-35(5)20-10-11-30-40(32-41)31-17-29-39(9)28-16-25-37(7)22-13-19-34(3)4/h10-11,14-20,23-31,41H,12-13,21-22,32H2,1-9H3/b11-10+,23-14+,27-15+,28-16+,31-17+,35-20+,36-24+,37-25+,38-26+,39-29+,40-30+

InChIKey

KGEHWBLVZVNSQJ-LSWHINSZSA-N

Compound name

(2E,4E,6E,8E,10E,12E,14E)-7,11,15,19-tetramethyl-2-[(1E,3E,5E,7E)-4,8,12-trimethyltrideca-1,3,5,7,11-pentaenyl]icosa-2,4,6,8,10,12,14,18-octaen-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]+	553.44038	234.1
[M+Na]+	575.42232	249.2
[M-H]-	551.42582	232.6
[M+NH4]+	570.46692	244.9
[M+K]+	591.39626	250.4
[M+H-H2O]+	535.43036	236.7
[M+HCOO]-	597.43130	232.2
[M+CH3COO]-	611.44695	254.3
[M+Na-2H]-	573.40777	226.9
[M]+	552.43255	231.7
[M]-	552.43365	231.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

553.44038

234.1

[M+Na]+

575.42232

249.2

[M-H]-

551.42582

232.6

[M+NH4]+

570.46692

244.9

[M+K]+

591.39626

250.4

[M+H-H2O]+

535.43036

236.7

[M+HCOO]-

597.43130

232.2

[M+CH3COO]-

611.44695

254.3

[M+Na-2H]-

573.40777

226.9

[M]+

552.43255

231.7

[M]-

552.43365

231.7

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

(13z)-lycopen-20-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe