CID 6394572

Retinyl propionate

Structural Information

Molecular Formula
C23H34O2
SMILES
CCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C
InChI
InChI=1S/C23H34O2/c1-7-22(24)25-17-15-19(3)11-8-10-18(2)13-14-21-20(4)12-9-16-23(21,5)6/h8,10-11,13-15H,7,9,12,16-17H2,1-6H3/b11-8+,14-13+,18-10+,19-15+
InChIKey
SFRPDSKECHTFQA-ONOWFSFQSA-N
Compound name
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

2590
Patents

342.2559 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.26318 187.0
[M+Na]+ 365.24512 190.4
[M-H]- 341.24862 188.9
[M+NH4]+ 360.28972 202.8
[M+K]+ 381.21906 185.4
[M+H-H2O]+ 325.25316 181.3
[M+HCOO]- 387.25410 202.6
[M+CH3COO]- 401.26975 215.0
[M+Na-2H]- 363.23057 182.5
[M]+ 342.25535 187.5
[M]- 342.25645 187.5
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

patents stripe