CID 155822490

1-(1-ethynylcyclopropyl)-1h-pyrazole

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

C#CC1(CC1)N2C=CC=N2

InChI

InChI=1S/C8H8N2/c1-2-8(4-5-8)10-7-3-6-9-10/h1,3,6-7H,4-5H2

InChIKey

OQAQHPAIVWXZDD-UHFFFAOYSA-N

Compound name

1-(1-ethynylcyclopropyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 132.06874 Da
Monoisotopic Mass: 0.8
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]+	133.076016	126.9
[M+Na]+	155.057958	143.6
[M-H]-	131.061464	131.6
[M+NH4]+	150.102563	144.2
[M+K]+	171.031898	136.7
[M+H-H2O]+	115.066000	116.3
[M+HCOO]-	177.066941	146.0
[M+CH3COO]-	191.082591	140.7
[M+Na-2H]-	153.043406	134.8
[M]+	132.06819142	125.0
[M]-	132.06928858	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe