CID 54019586

Eicosyl butyrate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

368.36542 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.372696 205.9
[M+Na]+ 391.354638 205.8
[M-H]- 367.358144 202.9
[M+NH4]+ 386.399243 218.6
[M+K]+ 407.328578 201.6
[M+H-H2O]+ 351.362680 198.0
[M+HCOO]- 413.363621 223.4
[M+CH3COO]- 427.379271 224.2
[M+Na-2H]- 389.340086 202.1
[M]+ 368.36487142 215.6
[M]- 368.36596858 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

literature stripe

Patent stripe

patents stripe