CID 28432191

Methyl 2-{[(3-chlorophenyl)methyl]amino}acetate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

COC(=O)CNCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C10H12ClNO2/c1-14-10(13)7-12-6-8-3-2-4-9(11)5-8/h2-5,12H,6-7H2,1H3

InChIKey

KWRQWQCGBBJVDZ-UHFFFAOYSA-N

Compound name

methyl 2-[(3-chlorophenyl)methylamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 213.05565 Da
Monoisotopic Mass: 1.8
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]+	214.062926	144.1
[M+Na]+	236.044868	152.0
[M-H]-	212.048374	147.8
[M+NH4]+	231.089473	163.6
[M+K]+	252.018808	148.7
[M+H-H2O]+	196.052910	138.9
[M+HCOO]-	258.053851	164.6
[M+CH3COO]-	272.069501	187.4
[M+Na-2H]-	234.030316	149.7
[M]+	213.05510142	147.6
[M]-	213.05619858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe