CID 24820112

(2r)-3-{[(benzylamino)carbonyl]amino}-2-hydroxypropanoic acid

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₄

SMILES

C1=CC=C(C=C1)CNC(=O)NC[C@H](C(=O)O)O

InChI

InChI=1S/C11H14N2O4/c14-9(10(15)16)7-13-11(17)12-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,15,16)(H2,12,13,17)/t9-/m1/s1

InChIKey

KGFDIRSBGRVEFZ-SECBINFHSA-N

Compound name

(2R)-3-(benzylcarbamoylamino)-2-hydroxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.09535 Da
Monoisotopic Mass: -0.2
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]+	239.102626	152.6
[M+Na]+	261.084568	156.1
[M-H]-	237.088074	153.0
[M+NH4]+	256.129173	167.5
[M+K]+	277.058508	154.5
[M+H-H2O]+	221.092610	145.6
[M+HCOO]-	283.093551	173.8
[M+CH3COO]-	297.109201	190.4
[M+Na-2H]-	259.070016	155.6
[M]+	238.09480142	150.1
[M]-	238.09589858	150.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.