CID 5364516

Z,e-3,13-octadecadien-1-ol

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-ZMHWZQNNSA-N
Compound name
(3Z,13E)-octadeca-3,13-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

266.26096 Da
Monoisotopic Mass

6.9
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

No literature data available for this compound.

Patent stripe

patents stripe