CID 46846122

Hydroxy-3,4-dehydro-apo-8'-lycopene

Structural Information

Molecular Formula
C30H42O
SMILES
CC(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)O)/C)C
InChI
InChI=1S/C30H42O/c1-25(2)15-11-18-26(3)16-9-10-17-27(4)19-12-20-28(5)21-13-22-29(6)23-14-24-30(7,8)31/h9-23,31H,24H2,1-8H3/b10-9+,18-11+,19-12+,21-13+,23-14+,26-16+,27-17+,28-20+,29-22+
InChIKey
FOIFOTKOVLXQJE-GOWUZQRBSA-N
Compound name
(4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,14,19,23-hexamethyltetracosa-4,6,8,10,12,14,16,18,20,22-decaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.32358 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.33086 211.6
[M+Na]+ 441.31280 218.0
[M-H]- 417.31630 202.6
[M+NH4]+ 436.35740 211.6
[M+K]+ 457.28674 202.0
[M+H-H2O]+ 401.32084 206.0
[M+HCOO]- 463.32178 212.0
[M+CH3COO]- 477.33743 227.4
[M+Na-2H]- 439.29825 201.4
[M]+ 418.32303 205.0
[M]- 418.32413 205.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.