CID 10909742

3-cyclohexyl-1h-pyrazole

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

C1CCC(CC1)C2=CC=NN2

InChI

InChI=1S/C9H14N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h6-8H,1-5H2,(H,10,11)

InChIKey

RISQWZNRZAZRPJ-UHFFFAOYSA-N

Compound name

5-cyclohexyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 74
Patents: 150.11569 Da
Monoisotopic Mass: 2.4
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]+	151.122966	133.2
[M+Na]+	173.104908	138.4
[M-H]-	149.108414	134.8
[M+NH4]+	168.149513	152.2
[M+K]+	189.078848	135.5
[M+H-H2O]+	133.112950	125.3
[M+HCOO]-	195.113891	151.5
[M+CH3COO]-	209.129541	144.9
[M+Na-2H]-	171.090356	137.7
[M]+	150.11514142	126.1
[M]-	150.11623858	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe