CID 14550004

4-isopropyl-3-methyl-1h-pyrazole

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CC1=C(C=NN1)C(C)C

InChI

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

InChIKey

SWEZGJVIOFBJBX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 148
Patents: 124.10005 Da
Monoisotopic Mass: 1.7
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]+	125.10733	126.5
[M+Na]+	147.08927	137.9
[M+NH4]+	142.13387	134.6
[M+K]+	163.06321	134.3
[M-H]-	123.09277	126.7
[M+Na-2H]-	145.07472	131.8
[M]+	124.09950	128.0
[M]-	124.10060	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe