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
1
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]+ 315.23186 182.2
[M+Na]+ 337.21380 191.4
[M+NH4]+ 332.25840 189.0
[M+K]+ 353.18774 181.8
[M-H]- 313.21730 182.1
[M+Na-2H]- 335.19925 185.0
[M]+ 314.22403 183.3
[M]- 314.22513 183.3
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.