CID 9576721

33779-80-5

Structural Information

Molecular Formula

C₄H₆ClNO₂

SMILES

CC(=O)O/N=C/CCl

InChI

InChI=1S/C4H6ClNO2/c1-4(7)8-6-3-2-5/h3H,2H2,1H3/b6-3+

InChIKey

NNZSYRJHOFUIEM-ZZXKWVIFSA-N

Compound name

[(E)-2-chloroethylideneamino] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 135.00871 Da
Monoisotopic Mass: 0.7
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]+	136.015986	122.6
[M+Na]+	157.997928	131.4
[M-H]-	134.001434	124.6
[M+NH4]+	153.042533	145.8
[M+K]+	173.971868	130.6
[M+H-H2O]+	118.005970	118.9
[M+HCOO]-	180.006911	145.0
[M+CH3COO]-	194.022561	174.1
[M+Na-2H]-	155.983376	129.8
[M]+	135.00816142	126.7
[M]-	135.00925858	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.