CID 19818079

Propylene glycol 2-stearate

Structural Information

Molecular Formula
C21H42O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(C)CO
InChI
InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20(2)19-22/h20,22H,3-19H2,1-2H3
InChIKey
IBQWRULIBDEOPW-UHFFFAOYSA-N
Compound name
1-hydroxypropan-2-yl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

342.3134 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.320676 196.6
[M+Na]+ 365.302618 197.0
[M-H]- 341.306124 192.7
[M+NH4]+ 360.347223 209.4
[M+K]+ 381.276558 193.7
[M+H-H2O]+ 325.310660 189.3
[M+HCOO]- 387.311601 212.8
[M+CH3COO]- 401.327251 215.3
[M+Na-2H]- 363.288066 192.6
[M]+ 342.31285142 203.9
[M]- 342.31394858 203.9
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