CID 9614369

Ethyl 2-oximinooxamate

Structural Information

Molecular Formula
C4H8N2O3
SMILES
CCOC(=O)/C(=N/O)/N
InChI
InChI=1S/C4H8N2O3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3,(H2,5,6)
InChIKey
QGYKRMZPOOILBA-UHFFFAOYSA-N
Compound name
ethyl (2Z)-2-amino-2-hydroxyiminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

565
Patents

132.0535 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.060776 125.4
[M+Na]+ 155.042718 131.9
[M-H]- 131.046224 125.6
[M+NH4]+ 150.087323 146.4
[M+K]+ 171.016658 132.9
[M+H-H2O]+ 115.050760 120.1
[M+HCOO]- 177.051701 150.3
[M+CH3COO]- 191.067351 174.1
[M+Na-2H]- 153.028166 130.2
[M]+ 132.05295142 124.5
[M]- 132.05404858 124.5
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