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: 43
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	119.3
[M+Na]+	121.073618	126.9
[M-H]-	97.077124	118.6
[M+NH4]+	116.118223	141.0
[M+K]+	137.047558	125.7
[M+H-H2O]+	81.081660	112.9
[M+HCOO]-	143.082601	140.3
[M+CH3COO]-	157.098251	162.5
[M+Na-2H]-	119.059066	125.7
[M]+	98.08385142	116.2
[M]-	98.08494858	116.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe