CID 13730286

All-trans-7,8-dihydroretinol

Structural Information

Molecular Formula
C20H32O
SMILES
CC1=C(C(CCC1)(C)C)CC/C(=C/C=C/C(=C/CO)/C)/C
InChI
InChI=1S/C20H32O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,13,21H,7,10-12,14-15H2,1-5H3/b9-6+,16-8+,17-13+
InChIKey
XEMSPUZLYVPKPX-SHGBQBHBSA-N
Compound name
(2E,4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

288.24533 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.252606 174.7
[M+Na]+ 311.234548 178.5
[M-H]- 287.238054 175.6
[M+NH4]+ 306.279153 192.2
[M+K]+ 327.208488 173.4
[M+H-H2O]+ 271.242590 169.5
[M+HCOO]- 333.243531 190.1
[M+CH3COO]- 347.259181 203.6
[M+Na-2H]- 309.219996 172.2
[M]+ 288.24478142 172.8
[M]- 288.24587858 172.8
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