CID 112034

2-chloro-n,n-dimethylpropanamide

Structural Information

Molecular Formula

C₅H₁₀ClNO

SMILES

CC(C(=O)N(C)C)Cl

InChI

InChI=1S/C5H10ClNO/c1-4(6)5(8)7(2)3/h4H,1-3H3

InChIKey

WDOAUKIEENWZNC-UHFFFAOYSA-N

Compound name

2-chloro-N,N-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 125
Patents: 135.04509 Da
Monoisotopic Mass: 0.7
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]+	136.052366	125.8
[M+Na]+	158.034308	133.5
[M-H]-	134.037814	127.9
[M+NH4]+	153.078913	149.0
[M+K]+	174.008248	133.4
[M+H-H2O]+	118.042350	122.2
[M+HCOO]-	180.043291	145.5
[M+CH3COO]-	194.058941	178.5
[M+Na-2H]-	156.019756	130.0
[M]+	135.04454142	128.4
[M]-	135.04563858	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe