CID 14607870

3z,6z,9z-octadecatriene

Structural Information

Molecular Formula
C18H32
SMILES
CCCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C18H32/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-18H,3-4,6,8-10,12,14-16H2,1-2H3/b7-5-,13-11-,18-17-
InChIKey
WTEJQXMWOMOBHJ-SVNQLWEDSA-N
Compound name
(3Z,6Z,9Z)-octadeca-3,6,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4658
Patents

248.2504 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.25768 168.8
[M+Na]+ 271.23962 172.2
[M-H]- 247.24312 167.1
[M+NH4]+ 266.28422 186.5
[M+K]+ 287.21356 167.1
[M+H-H2O]+ 231.24766 162.7
[M+HCOO]- 293.24860 189.3
[M+CH3COO]- 307.26425 199.1
[M+Na-2H]- 269.22507 169.7
[M]+ 248.24985 172.4
[M]- 248.25095 172.4
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