CID 155821380

1-cyclobutyl-3-ethynyl-1h-pyrazole

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

C#CC1=NN(C=C1)C2CCC2

InChI

InChI=1S/C9H10N2/c1-2-8-6-7-11(10-8)9-4-3-5-9/h1,6-7,9H,3-5H2

InChIKey

RCPONANYWWPLAG-UHFFFAOYSA-N

Compound name

1-cyclobutyl-3-ethynylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 146.0844 Da
Monoisotopic Mass: 1.3
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]+	147.09168	129.5
[M+Na]+	169.07362	137.4
[M+NH4]+	164.11822	131.2
[M+K]+	185.04756	131.7
[M-H]-	145.07712	121.4
[M+Na-2H]-	167.05907	131.3
[M]+	146.08385	126.4
[M]-	146.08495	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe