CID 12748070

Ethyl 2-(2-chloro-n-methylacetamido)acetate

Structural Information

Molecular Formula

C₇H₁₂ClNO₃

SMILES

CCOC(=O)CN(C)C(=O)CCl

InChI

InChI=1S/C7H12ClNO3/c1-3-12-7(11)5-9(2)6(10)4-8/h3-5H2,1-2H3

InChIKey

SPTMJRQXUGBDQW-UHFFFAOYSA-N

Compound name

ethyl 2-[(2-chloroacetyl)-methylamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 193.05057 Da
Monoisotopic Mass: 0.6
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]+	194.05785	139.0
[M+Na]+	216.03979	148.1
[M+NH4]+	211.08439	145.7
[M+K]+	232.01373	144.1
[M-H]-	192.04329	137.6
[M+Na-2H]-	214.02524	141.6
[M]+	193.05002	139.8
[M]-	193.05112	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe