CID 131841356

Type iv cyanolipid 20:1(13z) ester

Structural Information

Molecular Formula
C25H43NO2
SMILES
CCCCCC/C=C\CCCCCCCCCCCC(=O)OC(C#N)C(=C)C
InChI
InChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)28-24(22-26)23(2)3/h9-10,24H,2,4-8,11-21H2,1,3H3/b10-9-
InChIKey
VBNLYJSHIXFFTD-KTKRTIGZSA-N
Compound name
(1-cyano-2-methylprop-2-enyl) (Z)-icos-13-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.32938 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.33666 199.9
[M+Na]+ 412.31860 202.3
[M-H]- 388.32210 198.0
[M+NH4]+ 407.36320 210.5
[M+K]+ 428.29254 197.6
[M+H-H2O]+ 372.32664 186.2
[M+HCOO]- 434.32758 213.2
[M+CH3COO]- 448.34323 234.9
[M+Na-2H]- 410.30405 194.6
[M]+ 389.32883 201.5
[M]- 389.32993 201.5
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.