CID 219647

2-chloro-n,n-dipropylacetamide

Structural Information

Molecular Formula

C₈H₁₆ClNO

SMILES

CCCN(CCC)C(=O)CCl

InChI

InChI=1S/C8H16ClNO/c1-3-5-10(6-4-2)8(11)7-9/h3-7H2,1-2H3

InChIKey

TZHVRXDVDQMBQV-UHFFFAOYSA-N

Compound name

2-chloro-N,N-dipropylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 177.09204 Da
Monoisotopic Mass: 2.1
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	140.2
[M+Na]+	200.081258	146.9
[M-H]-	176.084764	141.6
[M+NH4]+	195.125863	161.8
[M+K]+	216.055198	145.6
[M+H-H2O]+	160.089300	135.9
[M+HCOO]-	222.090241	159.9
[M+CH3COO]-	236.105891	186.7
[M+Na-2H]-	198.066706	144.0
[M]+	177.09149142	144.6
[M]-	177.09258858	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe