CID 75317

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

Structural Information

Molecular Formula
C7H10N2
SMILES
C1CCC2=C(C1)C=NN2
InChI
InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H2,(H,8,9)
InChIKey
GDSQTWDUCDSZEY-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1772
Patents

122.0844 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 123.9
[M+Na]+ 145.07362 131.1
[M-H]- 121.07712 123.8
[M+NH4]+ 140.11822 145.4
[M+K]+ 161.04756 128.5
[M+H-H2O]+ 105.08166 117.1
[M+HCOO]- 167.08260 142.8
[M+CH3COO]- 181.09825 136.7
[M+Na-2H]- 143.05907 131.1
[M]+ 122.08385 118.9
[M]- 122.08495 118.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe