CID 549780

5-methyl-4,5-dihydro-1h-pyrazole

Structural Information

Molecular Formula

C₄H₈N₂

SMILES

CC1CC=NN1

InChI

InChI=1S/C4H8N2/c1-4-2-3-5-6-4/h3-4,6H,2H2,1H3

InChIKey

KDTSAMBCRXSULF-UHFFFAOYSA-N

Compound name

5-methyl-4,5-dihydro-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 84.06875 Da
Monoisotopic Mass: 0.3
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]+	85.076026	115.1
[M+Na]+	107.05797	126.1
[M+NH4]+	102.10257	123.7
[M+K]+	123.03191	122.4
[M-H]-	83.061474	115.3
[M+Na-2H]-	105.04342	120.8
[M]+	84.068201	116.4
[M]-	84.069299	116.4

Literature stripe

literature stripe

Patent stripe

patents stripe