CID 5210698

3-chloro-n,n-diethylpropanamide

Structural Information

Molecular Formula

C₇H₁₄ClNO

SMILES

CCN(CC)C(=O)CCCl

InChI

InChI=1S/C7H14ClNO/c1-3-9(4-2)7(10)5-6-8/h3-6H2,1-2H3

InChIKey

AUAQTCSKOHARRK-UHFFFAOYSA-N

Compound name

3-chloro-N,N-diethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 163.07639 Da
Monoisotopic Mass: 1.0
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	135.5
[M+Na]+	186.065608	142.6
[M-H]-	162.069114	137.1
[M+NH4]+	181.110213	157.6
[M+K]+	202.039548	141.5
[M+H-H2O]+	146.073650	131.4
[M+HCOO]-	208.074591	155.5
[M+CH3COO]-	222.090241	183.6
[M+Na-2H]-	184.051056	139.8
[M]+	163.07584142	139.5
[M]-	163.07693858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe