CID 84716793

2-methyl-4,5,6,7-tetrahydro-2h-indazole-4-carbonitrile

Structural Information

Molecular Formula
C9H11N3
SMILES
CN1C=C2C(CCCC2=N1)C#N
InChI
InChI=1S/C9H11N3/c1-12-6-8-7(5-10)3-2-4-9(8)11-12/h6-7H,2-4H2,1H3
InChIKey
IQFHCSZZVDTOCF-UHFFFAOYSA-N
Compound name
2-methyl-4,5,6,7-tetrahydroindazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.09529 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 132.0
[M+Na]+ 184.084508 142.6
[M-H]- 160.088014 132.9
[M+NH4]+ 179.129113 150.9
[M+K]+ 200.058448 138.3
[M+H-H2O]+ 144.092550 118.3
[M+HCOO]- 206.093491 148.4
[M+CH3COO]- 220.109141 143.8
[M+Na-2H]- 182.069956 137.2
[M]+ 161.09474142 125.4
[M]- 161.09583858 125.4
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

No patent data available for this compound.