CID 71033

1212-53-9

Structural Information

Molecular Formula

C₁₁H₁₃NO₄

SMILES

COC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C11H13NO4/c1-15-10(13)7-12-11(14)16-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)

InChIKey

DZYBBBYFLOPVOL-UHFFFAOYSA-N

Compound name

methyl 2-(phenylmethoxycarbonylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 159
Patents: 223.08446 Da
Monoisotopic Mass: 1.4
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]+	224.091736	148.3
[M+Na]+	246.073678	154.0
[M-H]-	222.077184	151.7
[M+NH4]+	241.118283	166.0
[M+K]+	262.047618	153.5
[M+H-H2O]+	206.081720	141.4
[M+HCOO]-	268.082661	172.6
[M+CH3COO]-	282.098311	188.3
[M+Na-2H]-	244.059126	153.3
[M]+	223.08391142	151.0
[M]-	223.08500858	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe