CID 1060

Pyruvic acid

Structural Information

Molecular Formula

C₃H₄O₃

SMILES

CC(=O)C(=O)O

InChI

InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)

InChIKey

LCTONWCANYUPML-UHFFFAOYSA-N

Compound name

2-oxopropanoic acid

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 22142
References: 130760
Patents: 88.016045 Da
Monoisotopic Mass: -0.3
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]+	89.023321	111.7
[M+Na]+	111.00526	119.9
[M-H]-	87.008769	111.3
[M+NH4]+	106.04987	134.6
[M+K]+	126.97920	120.6
[M+H-H2O]+	71.013305	108.1
[M+HCOO]-	133.01425	134.1
[M+CH3COO]-	147.02990	161.2
[M+Na-2H]-	108.99071	117.5
[M]+	88.015496	111.6
[M]-	88.016594	111.6

Literature stripe

literature stripe

Patent stripe

patents stripe