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 190.9
[M+Na]+ 379.18798 195.0
[M+NH4]+ 374.23258 193.5
[M+K]+ 395.16192 192.0
[M-H]- 355.19148 188.1
[M+Na-2H]- 377.17343 187.1
[M]+ 356.19821 190.1
[M]- 356.19931 190.1
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.