CID 50896776

1260659-26-4

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

CCN1C(=CC=N1)CC#N

InChI

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

InChIKey

LMFKAQYRLYSXEZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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]+	136.086926	124.0
[M+Na]+	158.068868	134.5
[M-H]-	134.072374	124.4
[M+NH4]+	153.113473	142.8
[M+K]+	174.042808	132.6
[M+H-H2O]+	118.076910	110.1
[M+HCOO]-	180.077851	143.5
[M+CH3COO]-	194.093501	186.3
[M+Na-2H]-	156.054316	130.0
[M]+	135.07910142	120.0
[M]-	135.08019858	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe