CID 117846

Eicosanoic acid, butyl ester

Structural Information

Molecular Formula
C24H48O2
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OCCCC
InChI
InChI=1S/C24H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-23-6-4-2/h3-23H2,1-2H3
InChIKey
WZRBMKGXBAVSQL-UHFFFAOYSA-N
Compound name
butyl icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

368.36542 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.37270 205.9
[M+Na]+ 391.35464 205.8
[M-H]- 367.35814 202.9
[M+NH4]+ 386.39924 218.6
[M+K]+ 407.32858 201.6
[M+H-H2O]+ 351.36268 198.0
[M+HCOO]- 413.36362 223.4
[M+CH3COO]- 427.37927 224.2
[M+Na-2H]- 389.34009 202.1
[M]+ 368.36487 215.6
[M]- 368.36597 215.6
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

patents stripe