CID 131841351

Type iv cyanolipid 18:1 ester

Structural Information

Molecular Formula
C23H39NO2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC(C#N)C(=C)C
InChI
InChI=1S/C23H39NO2/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/h11-12,22H,2,4-10,13-19H2,1,3H3/b12-11-
InChIKey
VXWKQNPQRJWPAU-QXMHVHEDSA-N
Compound name
(1-cyano-2-methylprop-2-enyl) (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.29807 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.30535 192.3
[M+Na]+ 384.28729 195.5
[M-H]- 360.29079 190.8
[M+NH4]+ 379.33189 203.9
[M+K]+ 400.26123 191.2
[M+H-H2O]+ 344.29533 178.9
[M+HCOO]- 406.29627 206.2
[M+CH3COO]- 420.31192 229.6
[M+Na-2H]- 382.27274 187.9
[M]+ 361.29752 193.3
[M]- 361.29862 193.3
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.