CID 20441641

87603-45-0

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: 15
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]+	164.083666	136.1
[M+Na]+	186.065608	142.6
[M-H]-	162.069114	136.4
[M+NH4]+	181.110213	157.5
[M+K]+	202.039548	141.0
[M+H-H2O]+	146.073650	132.4
[M+HCOO]-	208.074591	153.6
[M+CH3COO]-	222.090241	181.8
[M+Na-2H]-	184.051056	138.6
[M]+	163.07584142	137.5
[M]-	163.07693858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe