CID 3519145

3-chloro-n-ethylpropanamide

Structural Information

Molecular Formula

C₅H₁₀ClNO

SMILES

CCNC(=O)CCCl

InChI

InChI=1S/C5H10ClNO/c1-2-7-5(8)3-4-6/h2-4H2,1H3,(H,7,8)

InChIKey

HGHIRFMAVFBVDI-UHFFFAOYSA-N

Compound name

3-chloro-N-ethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 135.04509 Da
Monoisotopic Mass: 0.4
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	126.6
[M+Na]+	158.03431	134.2
[M-H]-	134.03781	126.9
[M+NH4]+	153.07891	149.1
[M+K]+	174.00825	132.3
[M+H-H2O]+	118.04235	123.0
[M+HCOO]-	180.04329	146.6
[M+CH3COO]-	194.05894	174.0
[M+Na-2H]-	156.01976	132.7
[M]+	135.04454	128.4
[M]-	135.04564	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe