CID 12108430

3-cyclopentyl-1h-pyrazole

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

C1CCC(C1)C2=CC=NN2

InChI

InChI=1S/C8H12N2/c1-2-4-7(3-1)8-5-6-9-10-8/h5-7H,1-4H2,(H,9,10)

InChIKey

DTJJREHRTQMDJV-UHFFFAOYSA-N

Compound name

5-cyclopentyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 136.10005 Da
Monoisotopic Mass: 1.9
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]+	137.107326	129.0
[M+Na]+	159.089268	135.5
[M-H]-	135.092774	131.3
[M+NH4]+	154.133873	150.4
[M+K]+	175.063208	133.4
[M+H-H2O]+	119.097310	121.5
[M+HCOO]-	181.098251	149.9
[M+CH3COO]-	195.113901	141.9
[M+Na-2H]-	157.074716	132.4
[M]+	136.09950142	123.8
[M]-	136.10059858	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe