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

15259
References

345432
Patents

89.99531 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.