CID 62642

Glycidyl stearate

Structural Information

Molecular Formula
C21H40O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC1CO1
InChI
InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h20H,2-19H2,1H3
InChIKey
OUQGOXCIUOCDNN-UHFFFAOYSA-N
Compound name
oxiran-2-ylmethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2090
Patents

340.29776 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.305036 190.7
[M+Na]+ 363.286978 194.0
[M-H]- 339.290484 193.5
[M+NH4]+ 358.331583 198.7
[M+K]+ 379.260918 190.9
[M+H-H2O]+ 323.295020 182.2
[M+HCOO]- 385.295961 209.0
[M+CH3COO]- 399.311611 217.3
[M+Na-2H]- 361.272426 190.5
[M]+ 340.29721142 202.1
[M]- 340.29830858 202.1
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