CID 41046

2-chloro-n,n-diethylpropanamide

Structural Information

Molecular Formula

C₇H₁₄ClNO

SMILES

CCN(CC)C(=O)C(C)Cl

InChI

InChI=1S/C7H14ClNO/c1-4-9(5-2)7(10)6(3)8/h6H,4-5H2,1-3H3

InChIKey

WORKHWHULFDZDE-UHFFFAOYSA-N

Compound name

2-chloro-N,N-diethylpropanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 32
Patents: 163.07639 Da
Monoisotopic Mass: 1.5
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]+	164.08367	135.4
[M+Na]+	186.06561	142.3
[M-H]-	162.06911	137.1
[M+NH4]+	181.11021	157.5
[M+K]+	202.03955	141.6
[M+H-H2O]+	146.07365	131.4
[M+HCOO]-	208.07459	154.4
[M+CH3COO]-	222.09024	184.5
[M+Na-2H]-	184.05106	138.5
[M]+	163.07584	138.8
[M]-	163.07694	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe