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

11
Annotation Hits: 79211
References: 553908
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	114.4
[M+Na]+	113.02091	121.9
[M-H]-	89.024414	112.6
[M+NH4]+	108.06551	136.6
[M+K]+	128.99485	122.3
[M+H-H2O]+	73.028950	110.9
[M+HCOO]-	135.02989	135.1
[M+CH3COO]-	149.04554	159.5
[M+Na-2H]-	111.00636	119.5
[M]+	90.031141	113.1
[M]-	90.032239	113.1

Literature stripe

literature stripe

Patent stripe

patents stripe