CID 66509401

1-cyclopentyl-3-ethynyl-1h-pyrazole

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

C#CC1=NN(C=C1)C2CCCC2

InChI

InChI=1S/C10H12N2/c1-2-9-7-8-12(11-9)10-5-3-4-6-10/h1,7-8,10H,3-6H2

InChIKey

WDVCCLUDDUVPGF-UHFFFAOYSA-N

Compound name

1-cyclopentyl-3-ethynylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 160.10005 Da
Monoisotopic Mass: 1.7
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]+	161.10733	136.8
[M+Na]+	183.08927	147.7
[M+NH4]+	178.13387	141.9
[M+K]+	199.06321	141.4
[M-H]-	159.09277	130.8
[M+Na-2H]-	181.07472	139.9
[M]+	160.09950	135.7
[M]-	160.10060	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe