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

7
References

14530
Patents

266.26096 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.26824 174.2
[M+Na]+ 289.25018 176.7
[M-H]- 265.25368 170.9
[M+NH4]+ 284.29478 190.3
[M+K]+ 305.22412 171.7
[M+H-H2O]+ 249.25822 167.9
[M+HCOO]- 311.25916 193.2
[M+CH3COO]- 325.27481 199.7
[M+Na-2H]- 287.23563 174.4
[M]+ 266.26041 178.0
[M]- 266.26151 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.