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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 129.4
[M+Na]+ 170.06887 139.2
[M-H]- 146.07237 128.9
[M+NH4]+ 165.11347 147.9
[M+K]+ 186.04281 134.3
[M+H-H2O]+ 130.07691 115.8
[M+HCOO]- 192.07785 144.7
[M+CH3COO]- 206.09350 140.6
[M+Na-2H]- 168.05432 135.2
[M]+ 147.07910 120.4
[M]- 147.08020 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe