CID 219645

N-butyl-2-chloroacetamide

Structural Information

Molecular Formula

C₆H₁₂ClNO

SMILES

CCCCNC(=O)CCl

InChI

InChI=1S/C6H12ClNO/c1-2-3-4-8-6(9)5-7/h2-5H2,1H3,(H,8,9)

InChIKey

XBTFKFOPYRYZDH-UHFFFAOYSA-N

Compound name

N-butyl-2-chloroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 147
Patents: 149.06075 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]+	150.06803	129.7
[M+Na]+	172.04997	140.1
[M+NH4]+	167.09457	137.9
[M+K]+	188.02391	133.9
[M-H]-	148.05347	129.7
[M+Na-2H]-	170.03542	133.8
[M]+	149.06020	131.2
[M]-	149.06130	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe