CID 25248081

1171541-96-0

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

CCN1C=CC(=N1)CC#N

InChI

InChI=1S/C7H9N3/c1-2-10-6-4-7(9-10)3-5-8/h4,6H,2-3H2,1H3

InChIKey

ZXXDFNZUOONVLE-UHFFFAOYSA-N

Compound name

2-(1-ethylpyrazol-3-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 135.07965 Da
Monoisotopic Mass: 0.2
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]+	136.08693	128.5
[M+Na]+	158.06887	140.0
[M+NH4]+	153.11347	133.2
[M+K]+	174.04281	132.5
[M-H]-	134.07237	121.9
[M+Na-2H]-	156.05432	132.1
[M]+	135.07910	127.3
[M]-	135.08020	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.