CID 69238

Ethyl oxamate

Structural Information

Molecular Formula
C4H7NO3
SMILES
CCOC(=O)C(=O)N
InChI
InChI=1S/C4H7NO3/c1-2-8-4(7)3(5)6/h2H2,1H3,(H2,5,6)
InChIKey
RZMZBHSKPLVQCP-UHFFFAOYSA-N
Compound name
ethyl 2-amino-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1239
Patents

117.042595 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.04987 121.1
[M+Na]+ 140.03181 128.5
[M-H]- 116.03532 121.4
[M+NH4]+ 135.07642 143.1
[M+K]+ 156.00575 129.5
[M+H-H2O]+ 100.03986 116.5
[M+HCOO]- 162.04080 145.1
[M+CH3COO]- 176.05645 169.7
[M+Na-2H]- 138.01726 125.9
[M]+ 117.04205 121.3
[M]- 117.04314 121.3
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