CID 54715069

Ns00045520

Structural Information

Molecular Formula
C2H2NO4
SMILES
C(=O)(C(=O)O)N[O-]
InChI
InChI=1S/C2H2NO4/c4-1(3-7)2(5)6/h(H2-,3,4,5,6,7)/q-1
InChIKey
IVUAZWLGFMNAFK-UHFFFAOYSA-N
Compound name
2-(oxidoamino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

103.99838 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.005656 114.1
[M+Na]+ 126.987598 121.5
[M-H]- 102.991104 112.0
[M+NH4]+ 122.032203 135.3
[M+K]+ 142.961538 122.9
[M+H-H2O]+ 86.995640 112.2
[M+HCOO]- 148.996581 137.5
[M+CH3COO]- 163.012231 160.2
[M+Na-2H]- 124.973046 119.5
[M]+ 103.99783142 111.8
[M]- 103.99892858 111.8
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.