CID 17799937

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

Structural Information

Molecular Formula

C₅H₁₀N₂

SMILES

CCC1CC=NN1

InChI

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

InChIKey

RHYLDYHNTARSRG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 98.0844 Da
Monoisotopic Mass: 0.8
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	119.6
[M+Na]+	121.07362	130.3
[M+NH4]+	116.11822	128.0
[M+K]+	137.04756	126.4
[M-H]-	97.077124	119.7
[M+Na-2H]-	119.05907	125.0
[M]+	98.083851	120.8
[M]-	98.084949	120.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe