CID 4103610

3-chloro-n-cyclopentylpropanamide

Structural Information

Molecular Formula

C₈H₁₄ClNO

SMILES

C1CCC(C1)NC(=O)CCCl

InChI

InChI=1S/C8H14ClNO/c9-6-5-8(11)10-7-3-1-2-4-7/h7H,1-6H2,(H,10,11)

InChIKey

BQKNSWFSFZEJCJ-UHFFFAOYSA-N

Compound name

3-chloro-N-cyclopentylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 175.07639 Da
Monoisotopic Mass: 1.3
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]+	176.083666	140.5
[M+Na]+	198.065608	146.0
[M-H]-	174.069114	143.1
[M+NH4]+	193.110213	162.6
[M+K]+	214.039548	143.1
[M+H-H2O]+	158.073650	135.4
[M+HCOO]-	220.074591	158.8
[M+CH3COO]-	234.090241	179.1
[M+Na-2H]-	196.051056	143.2
[M]+	175.07584142	138.8
[M]-	175.07693858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe