CID 95467

Glycerol monolactate

Structural Information

Molecular Formula

C₆H₁₂O₅

SMILES

CC(C(=O)OCC(CO)O)O

InChI

InChI=1S/C6H12O5/c1-4(8)6(10)11-3-5(9)2-7/h4-5,7-9H,2-3H2,1H3

InChIKey

RSGINGXWCXYMQU-UHFFFAOYSA-N

Compound name

2,3-dihydroxypropyl 2-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 847
Patents: 164.06847 Da
Monoisotopic Mass: -1.4
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]+	165.075746	134.7
[M+Na]+	187.057688	140.1
[M-H]-	163.061194	130.8
[M+NH4]+	182.102293	153.0
[M+K]+	203.031628	140.4
[M+H-H2O]+	147.065730	130.2
[M+HCOO]-	209.066671	152.3
[M+CH3COO]-	223.082321	170.6
[M+Na-2H]-	185.043136	136.3
[M]+	164.06792142	134.7
[M]-	164.06901858	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe