CID 16061227

All-trans-3,4-didehydrolycopene

Structural Information

Molecular Formula
C40H54
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/C=C(\C)/C=C/C=C(C)C)/C)/C)/C)C
InChI
InChI=1S/C40H54/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-13,15-23,25-32H,14,24H2,1-10H3/b12-11+,23-13+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
InChIKey
OCMSUPSDVXKDFY-FQMRBFJQSA-N
Compound name
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

534.42255 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.42983 231.7
[M+Na]+ 557.41177 238.7
[M+NH4]+ 552.45637 234.2
[M+K]+ 573.38571 236.9
[M-H]- 533.41527 228.4
[M+Na-2H]- 555.39722 236.4
[M]+ 534.42200 231.9
[M]- 534.42310 231.9
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.