CID 6439889

16326-32-2

Structural Information

Molecular Formula
C19H32O2
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC
InChI
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7-,11-10-,14-13-
InChIKey
JFRWATCOFCPIBM-JPFHKJGASA-N
Compound name
methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

118
Patents

292.24023 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.24751 179.1
[M+Na]+ 315.22945 187.0
[M+NH4]+ 310.27405 184.0
[M+K]+ 331.20339 178.4
[M-H]- 291.23295 177.0
[M+Na-2H]- 313.21490 179.1
[M]+ 292.23968 179.2
[M]- 292.24078 179.2
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