CID 498446

1-ethylpyrazole

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

CCN1C=CC=N1

InChI

InChI=1S/C5H8N2/c1-2-7-5-3-4-6-7/h3-5H,2H2,1H3

InChIKey

FLNMQGISZVYIIK-UHFFFAOYSA-N

Compound name

1-ethylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2208
Patents: 96.06875 Da
Monoisotopic Mass: -0.1
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	117.1
[M+Na]+	119.05797	129.4
[M+NH4]+	114.10257	126.0
[M+K]+	135.03191	125.0
[M-H]-	95.061474	118.0
[M+Na-2H]-	117.04342	124.1
[M]+	96.068201	119.0
[M]-	96.069299	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe