CID 6505649

3-hydroxyretinol

Structural Information

Molecular Formula
C20H30O2
SMILES
CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C
InChI
InChI=1S/C20H30O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-11,18,21-22H,12-14H2,1-5H3/b8-6+,10-9+,15-7+,16-11+
InChIKey
OBODKGDXEIUEIH-DAWLFQHYSA-N
Compound name
4-[(1E,3E,5E,7E)-9-hydroxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

321
Patents

302.22458 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 179.2
[M+Na]+ 325.21380 187.9
[M+NH4]+ 320.25840 185.8
[M+K]+ 341.18774 179.5
[M-H]- 301.21730 178.5
[M+Na-2H]- 323.19925 181.0
[M]+ 302.22403 180.0
[M]- 302.22513 180.0
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