CID 171118816

1-hydroxy-?-carotene

Structural Information

Molecular Formula
C40H62O
SMILES
CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CCCC(C)(C)O)/C)/C)/C)C
InChI
InChI=1S/C40H62O/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/h11-12,14-15,19-21,23-27,30,41H,13,16-18,22,28-29,31-32H2,1-10H3/b12-11+,23-14+,24-15+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
InChIKey
FUQQXWXMRWBZFM-PVKUQBAVSA-N
Compound name
(6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,20,22,26,30-decaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.48004 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.48732 235.6
[M+Na]+ 581.46926 248.2
[M-H]- 557.47276 232.8
[M+NH4]+ 576.51386 245.2
[M+K]+ 597.44320 251.6
[M+H-H2O]+ 541.47730 235.8
[M+HCOO]- 603.47824 234.4
[M+CH3COO]- 617.49389 257.7
[M+Na-2H]- 579.45471 226.8
[M]+ 558.47949 235.2
[M]- 558.48059 235.2
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.