CID 3278078

Ethyl n-z-oxamidate

Structural Information

Molecular Formula
C12H13NO5
SMILES
CCOC(=O)C(=O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C12H13NO5/c1-2-17-11(15)10(14)13-12(16)18-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14,16)
InChIKey
JREYAXFCOGQLSQ-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-(phenylmethoxycarbonylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.07938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08666 154.9
[M+Na]+ 274.06860 160.2
[M-H]- 250.07210 158.2
[M+NH4]+ 269.11320 171.3
[M+K]+ 290.04254 160.0
[M+H-H2O]+ 234.07664 147.8
[M+HCOO]- 296.07758 178.3
[M+CH3COO]- 310.09323 192.2
[M+Na-2H]- 272.05405 158.2
[M]+ 251.07883 157.9
[M]- 251.07993 157.9
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.