CID 79096

694-48-4

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

CC1=NN(C=C1)C

InChI

InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3

InChIKey

NODLZCJDRXTSJO-UHFFFAOYSA-N

Compound name

1,3-dimethylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9615
Patents: 96.06875 Da
Monoisotopic Mass: 0.6
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	115.7
[M+Na]+	119.05797	125.8
[M-H]-	95.061474	117.2
[M+NH4]+	114.10257	138.6
[M+K]+	135.03191	125.2
[M+H-H2O]+	79.066010	109.5
[M+HCOO]-	141.06695	139.7
[M+CH3COO]-	155.08260	166.0
[M+Na-2H]-	117.04342	123.0
[M]+	96.068201	116.3
[M]-	96.069299	116.3

Literature stripe

literature stripe

Patent stripe

patents stripe