CID 3406

4-methylpyrazole

Structural Information

Molecular Formula

C₄H₆N₂

SMILES

CC1=CNN=C1

InChI

InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)

InChIKey

RIKMMFOAQPJVMX-UHFFFAOYSA-N

Compound name

4-methyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 799
References: 8279
Patents: 82.0531 Da
Monoisotopic Mass: 1.4
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]+	83.060376	113.1
[M+Na]+	105.04232	125.0
[M+NH4]+	100.08692	121.8
[M+K]+	121.01626	121.2
[M-H]-	81.045824	113.5
[M+Na-2H]-	103.02777	119.8
[M]+	82.052551	114.7
[M]-	82.053649	114.7

Literature stripe

literature stripe

Patent stripe

patents stripe