CID 11748

Methyl pyruvate

Structural Information

Molecular Formula

C₄H₆O₃

SMILES

CC(=O)C(=O)OC

InChI

InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3

InChIKey

CWKLZLBVOJRSOM-UHFFFAOYSA-N

Compound name

methyl 2-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 76
References: 38669
Patents: 102.03169 Da
Monoisotopic Mass: 0.0
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]+	103.03897	115.4
[M+Na]+	125.02091	123.7
[M-H]-	101.02441	116.4
[M+NH4]+	120.06551	138.7
[M+K]+	140.99485	125.2
[M+H-H2O]+	85.028950	111.5
[M+HCOO]-	147.02989	139.1
[M+CH3COO]-	161.04554	166.2
[M+Na-2H]-	123.00636	121.3
[M]+	102.03114	117.6
[M]-	102.03224	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe