CID 612

Lactic acid

Structural Information

Molecular Formula

C₃H₆O₃

SMILES

CC(C(=O)O)O

InChI

InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)

InChIKey

JVTAAEKCZFNVCJ-UHFFFAOYSA-N

Compound name

2-hydroxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 78987
References: 410525
Patents: 90.03169 Da
Monoisotopic Mass: -0.7
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]+	91.038966	114.7
[M+Na]+	113.02091	123.7
[M+NH4]+	108.06551	121.6
[M+K]+	128.99485	121.2
[M-H]-	89.024414	112.2
[M+Na-2H]-	111.00636	117.2
[M]+	90.031141	114.8
[M]-	90.032239	114.8

Literature stripe

literature stripe

Patent stripe

patents stripe