CID 5283296

66410-24-0

Structural Information

Molecular Formula
C18H34O
SMILES
CCCC/C=C\CCCCCCCC/C=C\CCO
InChI
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,15-16,19H,2-4,7-14,17-18H2,1H3/b6-5-,16-15-
InChIKey
QBNCGBJHGBGHLS-NCCHCWSYSA-N
Compound name
(3Z,13Z)-octadeca-3,13-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

953
Patents

266.26096 Da
Monoisotopic Mass

6.9
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

literature stripe

Patent stripe

patents stripe