CID 3269066

3-chloro-n,n-dimethylpropanamide

Structural Information

Molecular Formula

C₅H₁₀ClNO

SMILES

CN(C)C(=O)CCCl

InChI

InChI=1S/C5H10ClNO/c1-7(2)5(8)3-4-6/h3-4H2,1-2H3

InChIKey

OZJYYPUOUHCAGX-UHFFFAOYSA-N

Compound name

3-chloro-N,N-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 135.04509 Da
Monoisotopic Mass: 0.2
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]+	136.05237	125.2
[M+Na]+	158.03431	136.0
[M+NH4]+	153.07891	133.8
[M+K]+	174.00825	130.6
[M-H]-	134.03781	125.5
[M+Na-2H]-	156.01976	129.8
[M]+	135.04454	126.9
[M]-	135.04564	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe