CID 58592546

4-(2-methylpropyl)-1h-pyrazole

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CC(C)CC1=CNN=C1

InChI

InChI=1S/C7H12N2/c1-6(2)3-7-4-8-9-5-7/h4-6H,3H2,1-2H3,(H,8,9)

InChIKey

NKYDATLMFPYEJM-UHFFFAOYSA-N

Compound name

4-(2-methylpropyl)-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 124.10005 Da
Monoisotopic Mass: 2.1
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]+	125.10733	126.8
[M+Na]+	147.08927	137.8
[M+NH4]+	142.13387	134.9
[M+K]+	163.06321	134.0
[M-H]-	123.09277	126.9
[M+Na-2H]-	145.07472	132.3
[M]+	124.09950	128.2
[M]-	124.10060	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe