CID 9589283

N-(acetyloxy)propanimidoyl chloride

Structural Information

Molecular Formula

C₅H₈ClNO₂

SMILES

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

InChI

InChI=1S/C5H8ClNO2/c1-3-5(6)7-9-4(2)8/h3H2,1-2H3/b7-5-

InChIKey

LTMKUMNZDQMVTC-ALCCZGGFSA-N

Compound name

[(Z)-1-chloropropylideneamino] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.02435 Da
Monoisotopic Mass: 1.6
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]+	150.03163	127.4
[M+Na]+	172.01357	135.6
[M-H]-	148.01707	129.4
[M+NH4]+	167.05817	150.0
[M+K]+	187.98751	135.0
[M+H-H2O]+	132.02161	123.6
[M+HCOO]-	194.02255	148.5
[M+CH3COO]-	208.03820	177.9
[M+Na-2H]-	169.99902	132.9
[M]+	149.02380	131.3
[M]-	149.02490	131.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.