CID 52141942

1-cyclopropyl-1h-pyrazole hydrochloride

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

C1CC1N2C=CC=N2

InChI

InChI=1S/C6H8N2/c1-4-7-8(5-1)6-2-3-6/h1,4-6H,2-3H2

InChIKey

YWLZMOUAZWHRFP-UHFFFAOYSA-N

Compound name

1-cyclopropylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 439
Patents: 108.06875 Da
Monoisotopic Mass: 0.7
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]+	109.07603	124.2
[M+Na]+	131.05797	134.8
[M-H]-	107.06147	129.2
[M+NH4]+	126.10257	141.2
[M+K]+	147.03191	132.5
[M+H-H2O]+	91.066010	116.6
[M+HCOO]-	153.06695	148.2
[M+CH3COO]-	167.08260	138.4
[M+Na-2H]-	129.04342	131.4
[M]+	108.06820	125.6
[M]-	108.06930	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe