CID 10909742

5-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: 52
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]+	151.12297	134.4
[M+Na]+	173.10491	145.5
[M+NH4]+	168.14951	143.3
[M+K]+	189.07885	140.6
[M-H]-	149.10841	136.9
[M+Na-2H]-	171.09036	141.2
[M]+	150.11514	136.4
[M]-	150.11624	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe