CID 524

2-hydroxy-3-oxobutanedioic acid

Structural Information

Molecular Formula
C4H4O6
SMILES
C(C(=O)C(=O)O)(C(=O)O)O
InChI
InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)
InChIKey
RMHHUKGVZFVHED-UHFFFAOYSA-N
Compound name
2-hydroxy-3-oxobutanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

2131
Patents

148.0008 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.008076 124.1
[M+Na]+ 170.990018 130.5
[M-H]- 146.993524 120.6
[M+NH4]+ 166.034623 142.6
[M+K]+ 186.963958 131.1
[M+H-H2O]+ 130.998060 120.0
[M+HCOO]- 192.999001 142.0
[M+CH3COO]- 207.014651 166.8
[M+Na-2H]- 168.975466 125.7
[M]+ 148.00025142 122.9
[M]- 148.00134858 122.9
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