CID 3361051

N-(3-chloropropyl)acetamide

Structural Information

Molecular Formula

C₅H₁₀ClNO

SMILES

CC(=O)NCCCCl

InChI

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

InChIKey

HDPXRRJHKUBNHX-UHFFFAOYSA-N

Compound name

N-(3-chloropropyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 135.04509 Da
Monoisotopic Mass: 0.5
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]+	136.05237	125.2
[M+Na]+	158.03431	135.8
[M+NH4]+	153.07891	133.6
[M+K]+	174.00825	129.9
[M-H]-	134.03781	125.2
[M+Na-2H]-	156.01976	129.6
[M]+	135.04454	126.7
[M]-	135.04564	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe