CID 16226952

2-chloro-n-(1-cyclopropylethyl)acetamide

Structural Information

Molecular Formula

C₇H₁₂ClNO

SMILES

CC(C1CC1)NC(=O)CCl

InChI

InChI=1S/C7H12ClNO/c1-5(6-2-3-6)9-7(10)4-8/h5-6H,2-4H2,1H3,(H,9,10)

InChIKey

PLCFXQXPDIHQAU-UHFFFAOYSA-N

Compound name

2-chloro-N-(1-cyclopropylethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.06075 Da
Monoisotopic Mass: 1.3
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]+	162.068026	130.9
[M+Na]+	184.049968	139.2
[M-H]-	160.053474	135.3
[M+NH4]+	179.094573	147.4
[M+K]+	200.023908	136.0
[M+H-H2O]+	144.058010	126.0
[M+HCOO]-	206.058951	150.0
[M+CH3COO]-	220.074601	182.7
[M+Na-2H]-	182.035416	135.6
[M]+	161.06020142	134.1
[M]-	161.06129858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.