CID 54740342

Pyruvatoxime

Structural Information

Molecular Formula
C3H4NO3
SMILES
C/C(=N\[O-])/C(=O)O
InChI
InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/p-1/b4-2+
InChIKey
MVGBKLTYYAYYGY-DUXPYHPUSA-M
Compound name
(2E)-2-oxidoiminopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

19
Patents

102.01912 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.026396 115.6
[M+Na]+ 125.008338 123.0
[M-H]- 101.011844 114.8
[M+NH4]+ 120.052943 137.6
[M+K]+ 140.982278 124.6
[M+H-H2O]+ 85.016380 113.6
[M+HCOO]- 147.017321 139.9
[M+CH3COO]- 161.032971 164.5
[M+Na-2H]- 122.993786 120.9
[M]+ 102.01857142 114.2
[M]- 102.01966858 114.2
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.