CID 16227012

39096-81-6

Structural Information

Molecular Formula

C₇H₁₄ClNO

SMILES

CCC(C)(C)NC(=O)CCl

InChI

InChI=1S/C7H14ClNO/c1-4-7(2,3)9-6(10)5-8/h4-5H2,1-3H3,(H,9,10)

InChIKey

PYKFVBXCTGQAMW-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-methylbutan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 163.07639 Da
Monoisotopic Mass: 1.7
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	135.6
[M+Na]+	186.065608	143.0
[M-H]-	162.069114	136.1
[M+NH4]+	181.110213	157.2
[M+K]+	202.039548	140.9
[M+H-H2O]+	146.073650	132.3
[M+HCOO]-	208.074591	153.5
[M+CH3COO]-	222.090241	180.3
[M+Na-2H]-	184.051056	141.3
[M]+	163.07584142	137.8
[M]-	163.07693858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe