CID 131841361

Type iii cyanolipid 18:1(9z) ester

Structural Information

Molecular Formula
C23H39NO2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC/C(=C/C#N)/C
InChI
InChI=1S/C23H39NO2/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/h10-11,19H,3-9,12-18,21H2,1-2H3/b11-10-,22-19+
InChIKey
OGHWYTLAMYCKTA-ZKTXIRDJSA-N
Compound name
[(E)-3-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

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.30535 191.2
[M+Na]+ 384.28729 194.6
[M-H]- 360.29079 189.6
[M+NH4]+ 379.33189 202.9
[M+K]+ 400.26123 189.9
[M+H-H2O]+ 344.29533 177.7
[M+HCOO]- 406.29627 206.0
[M+CH3COO]- 420.31192 228.4
[M+Na-2H]- 382.27274 188.0
[M]+ 361.29752 192.7
[M]- 361.29862 192.7
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.