CID 18187781

3-(piperidin-4-yl)-4,5,6,7-tetrahydro-2h-indazole hydrochloride

Structural Information

Molecular Formula
C12H19N3
SMILES
C1CCC2=C(C1)C(=NN2)C3CCNCC3
InChI
InChI=1S/C12H19N3/c1-2-4-11-10(3-1)12(15-14-11)9-5-7-13-8-6-9/h9,13H,1-8H2,(H,14,15)
InChIKey
GCURBIOMCCEKBN-UHFFFAOYSA-N
Compound name
3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

205.1579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.16518 149.4
[M+Na]+ 228.14712 153.2
[M-H]- 204.15062 148.6
[M+NH4]+ 223.19172 165.0
[M+K]+ 244.12106 148.0
[M+H-H2O]+ 188.15516 140.3
[M+HCOO]- 250.15610 160.8
[M+CH3COO]- 264.17175 158.2
[M+Na-2H]- 226.13257 151.7
[M]+ 205.15735 138.4
[M]- 205.15845 138.4
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