CID 6210

3,5-dimethylpyrazole

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

CC1=CC(=NN1)C

InChI

InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)

InChIKey

SDXAWLJRERMRKF-UHFFFAOYSA-N

Compound name

3,5-dimethyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 122
References: 24097
Patents: 96.06875 Da
Monoisotopic Mass: 1.0
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]+	97.076026	116.8
[M+Na]+	119.05797	126.4
[M-H]-	95.061474	116.9
[M+NH4]+	114.10257	139.0
[M+K]+	135.03191	124.8
[M+H-H2O]+	79.066010	110.8
[M+HCOO]-	141.06695	139.3
[M+CH3COO]-	155.08260	163.2
[M+Na-2H]-	117.04342	123.5
[M]+	96.068201	115.4
[M]-	96.069299	115.4

Literature stripe

literature stripe

Patent stripe

patents stripe