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
9
Annotation Hits

15168
References

245349
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 112.8
[M+Na]+ 112.98453 121.6
[M+NH4]+ 108.02913 119.0
[M+K]+ 128.95847 119.8
[M-H]- 88.988034 109.5
[M+Na-2H]- 110.96998 114.9
[M]+ 89.994761 112.6
[M]- 89.995859 112.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe