CID 9578540

N-(acetyloxy)ethanimidoyl chloride

Structural Information

Molecular Formula

C₄H₆ClNO₂

SMILES

C/C(=N/OC(=O)C)/Cl

InChI

InChI=1S/C4H6ClNO2/c1-3(5)6-8-4(2)7/h1-2H3/b6-3-

InChIKey

UPCFJADMODXASY-UTCJRWHESA-N

Compound name

[(Z)-1-chloroethylideneamino] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 135.00871 Da
Monoisotopic Mass: 1.1
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]+	136.01599	122.9
[M+Na]+	157.99793	133.4
[M+NH4]+	153.04253	130.8
[M+K]+	173.97187	128.8
[M-H]-	134.00143	122.5
[M+Na-2H]-	155.98338	127.2
[M]+	135.00816	124.2
[M]-	135.00926	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.