CID 3015298

Isopropyl icosanoate

Structural Information

Molecular Formula
C23H46O2
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC(C)C
InChI
InChI=1S/C23H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22(2)3/h22H,4-21H2,1-3H3
InChIKey
WLMTYYBAGSMBPQ-UHFFFAOYSA-N
Compound name
propan-2-yl icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

354.3498 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.35708 198.6
[M+Na]+ 377.33902 205.2
[M+NH4]+ 372.38362 203.5
[M+K]+ 393.31296 196.8
[M-H]- 353.34252 196.9
[M+Na-2H]- 375.32447 197.6
[M]+ 354.34925 198.7
[M]- 354.35035 198.7
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