CID 4529952

2-chloro-n-cyclopentylpropanamide

Structural Information

Molecular Formula

C₈H₁₄ClNO

SMILES

CC(C(=O)NC1CCCC1)Cl

InChI

InChI=1S/C8H14ClNO/c1-6(9)8(11)10-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,10,11)

InChIKey

YVDWCPUGVCYCNP-UHFFFAOYSA-N

Compound name

2-chloro-N-cyclopentylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 175.07639 Da
Monoisotopic Mass: 1.8
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	140.8
[M+Na]+	198.065608	146.2
[M-H]-	174.069114	143.6
[M+NH4]+	193.110213	163.0
[M+K]+	214.039548	143.7
[M+H-H2O]+	158.073650	136.0
[M+HCOO]-	220.074591	158.3
[M+CH3COO]-	234.090241	180.0
[M+Na-2H]-	196.051056	142.4
[M]+	175.07584142	138.6
[M]-	175.07693858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe