CID 139013

2-chloro-n,n-bis(propan-2-yl)acetamide

Structural Information

Molecular Formula

C₈H₁₆ClNO

SMILES

CC(C)N(C(C)C)C(=O)CCl

InChI

InChI=1S/C8H16ClNO/c1-6(2)10(7(3)4)8(11)5-9/h6-7H,5H2,1-4H3

InChIKey

CPQZQZNYTZXXBB-UHFFFAOYSA-N

Compound name

2-chloro-N,N-di(propan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 177.09204 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]+	178.099316	139.8
[M+Na]+	200.081258	146.1
[M-H]-	176.084764	141.5
[M+NH4]+	195.125863	161.3
[M+K]+	216.055198	145.6
[M+H-H2O]+	160.089300	135.8
[M+HCOO]-	222.090241	157.6
[M+CH3COO]-	236.105891	188.4
[M+Na-2H]-	198.066706	141.2
[M]+	177.09149142	143.0
[M]-	177.09258858	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe