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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.091736	151.6
[M+Na]+	258.073678	157.2
[M-H]-	234.077184	154.8
[M+NH4]+	253.118283	168.7
[M+K]+	274.047618	155.8
[M+H-H2O]+	218.081720	144.6
[M+HCOO]-	280.082661	175.7
[M+CH3COO]-	294.098311	190.5
[M+Na-2H]-	256.059126	156.1
[M]+	235.08391142	154.0
[M]-	235.08500858	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe