CID 7017816

3-cyclopropyl-1h-pyrazole

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

C1CC1C2=CC=NN2

InChI

InChI=1S/C6H8N2/c1-2-5(1)6-3-4-7-8-6/h3-5H,1-2H2,(H,7,8)

InChIKey

TXWDVWSJMDFNQY-UHFFFAOYSA-N

Compound name

5-cyclopropyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 841
Patents: 108.06875 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]+	109.076026	123.3
[M+Na]+	131.057968	133.5
[M-H]-	107.061474	126.9
[M+NH4]+	126.102573	139.6
[M+K]+	147.031908	130.2
[M+H-H2O]+	91.066010	116.0
[M+HCOO]-	153.066951	145.9
[M+CH3COO]-	167.082601	136.9
[M+Na-2H]-	129.043416	130.2
[M]+	108.06820142	122.9
[M]-	108.06929858	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe