CID 5365682

(9z,12z)-octadeca-9,12-dien-1-ol

Structural Information

Molecular Formula
C18H34O
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCO
InChI
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6-,10-9-
InChIKey
JXNPEDYJTDQORS-HZJYTTRNSA-N
Compound name
(9Z,12Z)-octadeca-9,12-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

14462
Patents

266.26096 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.268236 174.2
[M+Na]+ 289.250178 176.7
[M-H]- 265.253684 170.9
[M+NH4]+ 284.294783 190.3
[M+K]+ 305.224118 171.7
[M+H-H2O]+ 249.258220 167.9
[M+HCOO]- 311.259161 193.2
[M+CH3COO]- 325.274811 199.7
[M+Na-2H]- 287.235626 174.4
[M]+ 266.26041142 178.0
[M]- 266.26150858 178.0
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