CID 131841363

Type iii cyanolipid 18:2 ester

Structural Information

Molecular Formula
C23H37NO2
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC/C(=C/C#N)/C
InChI
InChI=1S/C23H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(25)26-21-22(2)19-20-24/h7-8,10-11,19H,3-6,9,12-18,21H2,1-2H3/b8-7-,11-10-,22-19+
InChIKey
CGSXWMLZHLMTQE-GLRMIVTPSA-N
Compound name
[(E)-3-cyano-2-methylprop-2-enyl] (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.28244 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.28972 191.1
[M+Na]+ 382.27166 194.9
[M-H]- 358.27516 189.7
[M+NH4]+ 377.31626 202.9
[M+K]+ 398.24560 189.6
[M+H-H2O]+ 342.27970 177.7
[M+HCOO]- 404.28064 206.1
[M+CH3COO]- 418.29629 227.1
[M+Na-2H]- 380.25711 187.9
[M]+ 359.28189 191.9
[M]- 359.28299 191.9
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.