CID 6029647

4-hydroxyretinal

Structural Information

Molecular Formula
C20H28O2
SMILES
CC1=C(C(CCC1O)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
InChI
InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,14,19,22H,11,13H2,1-5H3/b8-6+,10-9+,15-7+,16-12+
InChIKey
CYVVUYORRQQAQE-RMWYGNQTSA-N
Compound name
(2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

145
Patents

300.20892 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 177.8
[M+Na]+ 323.19814 187.0
[M+NH4]+ 318.24274 184.4
[M+K]+ 339.17208 178.2
[M-H]- 299.20164 177.3
[M+Na-2H]- 321.18359 180.1
[M]+ 300.20837 178.7
[M]- 300.20947 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

patents stripe