CID 24778484

Type iv cyanolipid 20:0 ester

Structural Information

Molecular Formula
C25H45NO2
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC(C#N)C(=C)C
InChI
InChI=1S/C25H45NO2/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/h24H,2,4-21H2,1,3H3
InChIKey
QRRHXDDYKWYHPW-UHFFFAOYSA-N
Compound name
(1-cyano-2-methylprop-2-enyl) icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.34503 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.35231 200.0
[M+Na]+ 414.33425 202.1
[M-H]- 390.33775 198.1
[M+NH4]+ 409.37885 210.5
[M+K]+ 430.30819 197.9
[M+H-H2O]+ 374.34229 186.2
[M+HCOO]- 436.34323 213.1
[M+CH3COO]- 450.35888 236.2
[M+Na-2H]- 412.31970 194.8
[M]+ 391.34448 202.4
[M]- 391.34558 202.4
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.