CID 95686

2566-19-0

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₅

SMILES

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

InChI

InChI=1S/C12H14N2O5/c15-10(13-7-11(16)17)6-14-12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,18)(H,16,17)

InChIKey

VFRCXEHNAFUTQC-UHFFFAOYSA-N

Compound name

2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 389
Patents: 266.09027 Da
Monoisotopic Mass: 0.4
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]+	267.09755	159.6
[M+Na]+	289.07949	166.5
[M+NH4]+	284.12409	163.7
[M+K]+	305.05343	163.7
[M-H]-	265.08299	158.7
[M+Na-2H]-	287.06494	162.5
[M]+	266.08972	159.6
[M]-	266.09082	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe