CID 16061288

1-oh-3,4,3',4'-tetradehydrolycopene

Structural Information

Molecular Formula
C40H54O
SMILES
CC(=C/C=C/C(=C/C=C/C(=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)/C)C
InChI
InChI=1S/C40H54O/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/h11-31,41H,32H2,1-10H3/b12-11+,22-13+,23-14+,24-15+,28-16+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
InChIKey
GDBKJKRVPJLKNL-XJEUCKQZSA-N
Compound name
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.4175 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.42478 230.1
[M+Na]+ 573.40672 245.1
[M-H]- 549.41022 230.6
[M+NH4]+ 568.45132 241.2
[M+K]+ 589.38066 246.7
[M+H-H2O]+ 533.41476 230.5
[M+HCOO]- 595.41570 232.3
[M+CH3COO]- 609.43135 252.1
[M+Na-2H]- 571.39217 223.2
[M]+ 550.41695 229.0
[M]- 550.41805 229.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.