CID 131841353

Type iv cyanolipid 18:2 ester

Structural Information

Molecular Formula
C23H37NO2
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(C#N)C(=C)C
InChI
InChI=1S/C23H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)26-22(20-24)21(2)3/h8-9,11-12,22H,2,4-7,10,13-19H2,1,3H3/b9-8-,12-11-
InChIKey
JFSKZKPGZUZRQD-MURFETPASA-N
Compound name
(1-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

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.28972 192.2
[M+Na]+ 382.27166 195.7
[M-H]- 358.27516 190.8
[M+NH4]+ 377.31626 203.8
[M+K]+ 398.24560 190.9
[M+H-H2O]+ 342.27970 178.8
[M+HCOO]- 404.28064 206.2
[M+CH3COO]- 418.29629 228.3
[M+Na-2H]- 380.25711 187.7
[M]+ 359.28189 192.4
[M]- 359.28299 192.4
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.