CID 20441641

2-chloro-n-isobutylpropanamide

Structural Information

Molecular Formula

C₇H₁₄ClNO

SMILES

CC(C)CNC(=O)C(C)Cl

InChI

InChI=1S/C7H14ClNO/c1-5(2)4-9-7(10)6(3)8/h5-6H,4H2,1-3H3,(H,9,10)

InChIKey

DACYGWNELUVMHS-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-methylpropyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 163.07639 Da
Monoisotopic Mass: 1.9
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]+	164.08367	135.1
[M+Na]+	186.06561	144.6
[M+NH4]+	181.11021	142.9
[M+K]+	202.03955	139.8
[M-H]-	162.06911	134.6
[M+Na-2H]-	184.05106	138.1
[M]+	163.07584	136.3
[M]-	163.07694	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe