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

7
Annotation Hits: 63
References: 84451
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]+	105.054616	118.3
[M+Na]+	127.036558	125.8
[M-H]-	103.040064	117.7
[M+NH4]+	122.081163	140.7
[M+K]+	143.010498	126.9
[M+H-H2O]+	87.044600	114.4
[M+HCOO]-	149.045541	140.2
[M+CH3COO]-	163.061191	164.5
[M+Na-2H]-	125.022006	123.4
[M]+	104.04679142	119.2
[M]-	104.04788858	119.2

Literature stripe

literature stripe

Patent stripe

patents stripe