CID 168432184

11-cis-retinyl ester

Structural Information

Molecular Formula
C21H30O2
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C\COC=O)\C)/C
InChI
InChI=1S/C21H30O2/c1-17(8-6-9-18(2)13-15-23-16-22)11-12-20-19(3)10-7-14-21(20,4)5/h6,8-9,11-13,16H,7,10,14-15H2,1-5H3/b9-6-,12-11+,17-8+,18-13+
InChIKey
ZHTMVKGURADRHI-CMSSUEKISA-N
Compound name
[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] formate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

314.22458 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.231856 178.3
[M+Na]+ 337.213798 182.7
[M-H]- 313.217304 180.5
[M+NH4]+ 332.258403 195.3
[M+K]+ 353.187738 177.6
[M+H-H2O]+ 297.221840 172.7
[M+HCOO]- 359.222781 195.5
[M+CH3COO]- 373.238431 208.8
[M+Na-2H]- 335.199246 176.0
[M]+ 314.22403142 178.7
[M]- 314.22512858 178.7
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.