CID 24699

Glyceryl monostearate

Structural Information

Molecular Formula

C₂₁H₄₂O₄

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O

InChI

InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3

InChIKey

VBICKXHEKHSIBG-UHFFFAOYSA-N

Compound name

2,3-dihydroxypropyl octadecanoate

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 294
References: 54974
Patents: 358.30832 Da
Monoisotopic Mass: 7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	359.31560	199.2
[M+Na]+	381.29754	199.0
[M-H]-	357.30104	193.8
[M+NH4]+	376.34214	210.5
[M+K]+	397.27148	195.5
[M+H-H2O]+	341.30558	191.9
[M+HCOO]-	403.30652	214.1
[M+CH3COO]-	417.32217	214.7
[M+Na-2H]-	379.28299	194.8
[M]+	358.30777	206.0
[M]-	358.30887	206.0

Literature stripe

literature stripe

Patent stripe

patents stripe