CID 21996

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

Structural Information

Molecular Formula

C₅H₁₀N₂

SMILES

CC1CC=NN1C

InChI

InChI=1S/C5H10N2/c1-5-3-4-6-7(5)2/h4-5H,3H2,1-2H3

InChIKey

YTDZUPBPWJAQDV-UHFFFAOYSA-N

Compound name

2,3-dimethyl-3,4-dihydropyrazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 38
Patents: 98.0844 Da
Monoisotopic Mass: 0.4
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]+	99.091676	118.0
[M+Na]+	121.07362	127.0
[M-H]-	97.077124	119.1
[M+NH4]+	116.11822	140.7
[M+K]+	137.04756	126.6
[M+H-H2O]+	81.081660	111.7
[M+HCOO]-	143.08260	140.5
[M+CH3COO]-	157.09825	166.3
[M+Na-2H]-	119.05907	124.2
[M]+	98.083851	117.1
[M]-	98.084949	117.1

Literature stripe

literature stripe

Patent stripe

patents stripe