CID 32049632

4,5,6,7-tetrahydro-1h-indazole-3-carbonitrile

Structural Information

Molecular Formula

C₈H₉N₃

SMILES

C1CCC2=C(C1)C(=NN2)C#N

InChI

InChI=1S/C8H9N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H2,(H,10,11)

InChIKey

VJSJHHQOFGODAH-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 147.07965 Da
Monoisotopic Mass: 1.5
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]+	148.08693	135.0
[M+Na]+	170.06887	145.9
[M+NH4]+	165.11347	140.2
[M+K]+	186.04281	138.1
[M-H]-	146.07237	128.5
[M+Na-2H]-	168.05432	137.2
[M]+	147.07910	133.7
[M]-	147.08020	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe