CID 20067321

4-isopropyl-1h-pyrazole hydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

CC(C)C1=CNN=C1

InChI

InChI=1S/C6H10N2/c1-5(2)6-3-7-8-4-6/h3-5H,1-2H3,(H,7,8)

InChIKey

WVMBISZHWMJNNM-UHFFFAOYSA-N

Compound name

4-propan-2-yl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1463
Patents: 110.0844 Da
Monoisotopic Mass: 2.2
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]+	111.09168	122.3
[M+Na]+	133.07362	133.5
[M+NH4]+	128.11822	130.6
[M+K]+	149.04756	130.0
[M-H]-	109.07712	122.4
[M+Na-2H]-	131.05907	128.1
[M]+	110.08385	123.7
[M]-	110.08495	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe