CID 7019103

Benzyl 2-(methylamino)acetate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CNCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C10H13NO2/c1-11-7-10(12)13-8-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3

InChIKey

ZKIFKIPAGDGRFG-UHFFFAOYSA-N

Compound name

benzyl 2-(methylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 351
Patents: 179.09464 Da
Monoisotopic Mass: 1.6
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]+	180.10192	138.4
[M+Na]+	202.08386	144.5
[M-H]-	178.08736	141.8
[M+NH4]+	197.12846	158.0
[M+K]+	218.05780	143.3
[M+H-H2O]+	162.09190	132.0
[M+HCOO]-	224.09284	163.4
[M+CH3COO]-	238.10849	182.5
[M+Na-2H]-	200.06931	145.1
[M]+	179.09409	139.4
[M]-	179.09519	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe