CID 131751665

G-crocetin

Structural Information

Molecular Formula
C22H28O4
SMILES
C/C(=C\C=C\C=C(\C)/C=C/C=C(\C)/C(=O)OC)/C=C/C=C(/C)\C(=O)OC
InChI
InChI=1S/C22H28O4/c1-17(13-9-15-19(3)21(23)25-5)11-7-8-12-18(2)14-10-16-20(4)22(24)26-6/h7-16H,1-6H3/b8-7+,13-9+,14-10+,17-11-,18-12+,19-15+,20-16-
InChIKey
OXNHRKGZZFWUQZ-KYBHHSLLSA-N
Compound name
dimethyl (2E,4E,6Z,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

356.19876 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20604 189.0
[M+Na]+ 379.18798 191.8
[M-H]- 355.19148 187.5
[M+NH4]+ 374.23258 201.6
[M+K]+ 395.16192 186.9
[M+H-H2O]+ 339.19602 183.1
[M+HCOO]- 401.19696 198.4
[M+CH3COO]- 415.21261 214.3
[M+Na-2H]- 377.17343 181.2
[M]+ 356.19821 191.5
[M]- 356.19931 191.5
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.