CID 2387220

76969-81-8

Structural Information

Molecular Formula

C₅H₈ClNO₃

SMILES

COC(=O)CNC(=O)CCl

InChI

InChI=1S/C5H8ClNO3/c1-10-5(9)3-7-4(8)2-6/h2-3H2,1H3,(H,7,8)

InChIKey

FCYYBUGNYDVXCX-UHFFFAOYSA-N

Compound name

methyl 2-[(2-chloroacetyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 165.01927 Da
Monoisotopic Mass: 0.1
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]+	166.02655	130.5
[M+Na]+	188.00849	139.8
[M+NH4]+	183.05309	137.3
[M+K]+	203.98243	135.7
[M-H]-	164.01199	128.9
[M+Na-2H]-	185.99394	133.4
[M]+	165.01872	131.2
[M]-	165.01982	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe