CID 971

Oxalic acid

Structural Information

Molecular Formula

C₂H₂O₄

SMILES

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

InChI

InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)

InChIKey

MUBZPKHOEPUJKR-UHFFFAOYSA-N

Compound name

oxalic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 15249
References: 331270
Patents: 89.99531 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]+	91.002586	111.0
[M+Na]+	112.98453	119.2
[M-H]-	88.988034	109.3
[M+NH4]+	108.02913	133.1
[M+K]+	128.95847	119.7
[M+H-H2O]+	72.992570	107.5
[M+HCOO]-	134.99351	132.5
[M+CH3COO]-	149.00916	157.0
[M+Na-2H]-	110.96998	116.7
[M]+	89.994761	110.0
[M]-	89.995859	110.0

Literature stripe

literature stripe

Patent stripe

patents stripe