CID 222359

2-chloro-n-isobutylacetamide

Structural Information

Molecular Formula

C₆H₁₂ClNO

SMILES

CC(C)CNC(=O)CCl

InChI

InChI=1S/C6H12ClNO/c1-5(2)4-8-6(9)3-7/h5H,3-4H2,1-2H3,(H,8,9)

InChIKey

VMVLMEWLHDHBNZ-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-methylpropyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 89
Patents: 149.06075 Da
Monoisotopic Mass: 1.5
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	131.5
[M+Na]+	172.04997	138.5
[M-H]-	148.05347	131.8
[M+NH4]+	167.09457	153.4
[M+K]+	188.02391	136.8
[M+H-H2O]+	132.05801	127.8
[M+HCOO]-	194.05895	150.2
[M+CH3COO]-	208.07460	177.9
[M+Na-2H]-	170.03542	135.7
[M]+	149.06020	133.1
[M]-	149.06130	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe