CID 14349

1138-80-3

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)O

InChI

InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)

InChIKey

CJUMAFVKTCBCJK-UHFFFAOYSA-N

Compound name

2-(phenylmethoxycarbonylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 13
References: 5053
Patents: 209.0688 Da
Monoisotopic Mass: 1.0
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]+	210.07608	144.9
[M+Na]+	232.05802	154.4
[M+NH4]+	227.10262	151.0
[M+K]+	248.03196	150.3
[M-H]-	208.06152	145.0
[M+Na-2H]-	230.04347	149.6
[M]+	209.06825	145.8
[M]-	209.06935	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe