CID 80297288

2-chloro-1-(1-methylcyclopropyl)ethan-1-one

Structural Information

Molecular Formula

SMILES

CC1(CC1)C(=O)CCl

InChI

InChI=1S/C6H9ClO/c1-6(2-3-6)5(8)4-7/h2-4H2,1H3

InChIKey

BEVPNJLAXOFBFI-UHFFFAOYSA-N

Compound name

2-chloro-1-(1-methylcyclopropyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 132.0342 Da
Monoisotopic Mass: 1.4
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]+	133.041476	123.2
[M+Na]+	155.023418	133.5
[M-H]-	131.026924	128.1
[M+NH4]+	150.068023	142.9
[M+K]+	170.997358	131.3
[M+H-H2O]+	115.031460	119.8
[M+HCOO]-	177.032401	142.1
[M+CH3COO]-	191.048051	174.8
[M+Na-2H]-	153.008866	130.3
[M]+	132.03365142	127.7
[M]-	132.03474858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe