CID 146155256

1-chloro-3-methoxybutan-2-one

Structural Information

Molecular Formula

SMILES

CC(C(=O)CCl)OC

InChI

InChI=1S/C5H9ClO2/c1-4(8-2)5(7)3-6/h4H,3H2,1-2H3

InChIKey

YUPPAQKACAMXOD-UHFFFAOYSA-N

Compound name

1-chloro-3-methoxybutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 136.02911 Da
Monoisotopic Mass: 0.9
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]+	137.03639	123.8
[M+Na]+	159.01833	134.8
[M+NH4]+	154.06293	132.0
[M+K]+	174.99227	129.9
[M-H]-	135.02183	122.9
[M+Na-2H]-	157.00378	127.7
[M]+	136.02856	125.2
[M]-	136.02966	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.