CID 131841367

Type iii cyanolipid 20:1(13z) ester

Structural Information

Molecular Formula
C25H43NO2
SMILES
CCCCCC/C=C\CCCCCCCCCCCC(=O)OC/C(=C/C#N)/C
InChI
InChI=1S/C25H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(27)28-23-24(2)21-22-26/h8-9,21H,3-7,10-20,23H2,1-2H3/b9-8-,24-21+
InChIKey
QXUZGMWDBOEESH-HFEPOADVSA-N
Compound name
[(E)-3-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

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.33666 198.7
[M+Na]+ 412.31860 201.4
[M-H]- 388.32210 196.8
[M+NH4]+ 407.36320 209.4
[M+K]+ 428.29254 196.3
[M+H-H2O]+ 372.32664 184.9
[M+HCOO]- 434.32758 212.9
[M+CH3COO]- 448.34323 233.6
[M+Na-2H]- 410.30405 194.6
[M]+ 389.32883 200.9
[M]- 389.32993 200.9
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.