CID 47309

N-carbobenzoxyglycine vinyl ester

Structural Information

Molecular Formula
C12H13NO4
SMILES
C=COC(=O)CNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C12H13NO4/c1-2-16-11(14)8-13-12(15)17-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,13,15)
InChIKey
JYKQZYMZPYYHLX-UHFFFAOYSA-N
Compound name
ethenyl 2-(phenylmethoxycarbonylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

235.08446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 151.6
[M+Na]+ 258.07368 157.2
[M-H]- 234.07718 154.8
[M+NH4]+ 253.11828 168.7
[M+K]+ 274.04762 155.8
[M+H-H2O]+ 218.08172 144.6
[M+HCOO]- 280.08266 175.8
[M+CH3COO]- 294.09831 190.5
[M+Na-2H]- 256.05913 156.1
[M]+ 235.08391 154.0
[M]- 235.08501 154.0
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