CID 3844764

Dioxobutanoic acid

Structural Information

Molecular Formula

C₄H₄O₄

SMILES

CC(=O)C(=O)C(=O)O

InChI

InChI=1S/C4H4O4/c1-2(5)3(6)4(7)8/h1H3,(H,7,8)

InChIKey

WYIVDYGTKGEJLC-UHFFFAOYSA-N

Compound name

2,3-dioxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 321
Patents: 116.010956 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]+	117.018232	117.3
[M+Na]+	139.000174	125.1
[M-H]-	115.003680	116.8
[M+NH4]+	134.044779	138.9
[M+K]+	154.974114	125.9
[M+H-H2O]+	99.008216	113.4
[M+HCOO]-	161.009157	138.9
[M+CH3COO]-	175.024807	166.3
[M+Na-2H]-	136.985622	121.4
[M]+	116.01040742	117.7
[M]-	116.01150458	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe