CID 369330

Na-z-l-2,3-diaminopropionic acid

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₄

SMILES

C1=CC=C(C=C1)COC(=O)NC(CN)C(=O)O

InChI

InChI=1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)

InChIKey

FOXRXVSTFGNURG-UHFFFAOYSA-N

Compound name

3-amino-2-(phenylmethoxycarbonylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 606
Patents: 238.09535 Da
Monoisotopic Mass: -2.2
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]+	239.10263	152.8
[M+Na]+	261.08457	156.7
[M-H]-	237.08807	154.1
[M+NH4]+	256.12917	168.2
[M+K]+	277.05851	155.6
[M+H-H2O]+	221.09261	145.6
[M+HCOO]-	283.09355	174.9
[M+CH3COO]-	297.10920	192.2
[M+Na-2H]-	259.07002	155.2
[M]+	238.09480	151.2
[M]-	238.09590	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe