CID 11040

Methyl lactate

Structural Information

Molecular Formula

C₄H₈O₃

SMILES

CC(C(=O)OC)O

InChI

InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3

InChIKey

LPEKGGXMPWTOCB-UHFFFAOYSA-N

Compound name

methyl 2-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 63
References: 81047
Patents: 104.04734 Da
Monoisotopic Mass: -0.1
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]+	105.05462	118.7
[M+Na]+	127.03656	128.1
[M+NH4]+	122.08116	125.9
[M+K]+	143.01050	125.1
[M-H]-	103.04006	116.7
[M+Na-2H]-	125.02201	121.5
[M]+	104.04679	119.1
[M]-	104.04789	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe