CID 165767142

2-(1h-pyrazol-1-yl)cyclopentan-1-one

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1CC(C(=O)C1)N2C=CC=N2

InChI

InChI=1S/C8H10N2O/c11-8-4-1-3-7(8)10-6-2-5-9-10/h2,5-7H,1,3-4H2

InChIKey

DXOIWPUCXKAQJM-UHFFFAOYSA-N

Compound name

2-pyrazol-1-ylcyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 150.07932 Da
Monoisotopic Mass: 0.6
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]+	151.086596	130.4
[M+Na]+	173.068538	138.4
[M-H]-	149.072044	134.5
[M+NH4]+	168.113143	152.1
[M+K]+	189.042478	137.0
[M+H-H2O]+	133.076580	123.0
[M+HCOO]-	195.077521	153.2
[M+CH3COO]-	209.093171	172.8
[M+Na-2H]-	171.053986	133.6
[M]+	150.07877142	128.2
[M]-	150.07986858	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe