CID 24762

Ethylene glycol monostearate

Structural Information

Molecular Formula
C20H40O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCO
InChI
InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3
InChIKey
RFVNOJDQRGSOEL-UHFFFAOYSA-N
Compound name
2-hydroxyethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

5
References

98347
Patents

328.29776 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.30504 191.2
[M+Na]+ 351.28698 192.2
[M-H]- 327.29048 187.5
[M+NH4]+ 346.33158 204.7
[M+K]+ 367.26092 188.7
[M+H-H2O]+ 311.29502 184.0
[M+HCOO]- 373.29596 208.8
[M+CH3COO]- 387.31161 211.6
[M+Na-2H]- 349.27243 189.1
[M]+ 328.29721 198.8
[M]- 328.29831 198.8
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