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

21
Patents

205.1579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.165176 149.4
[M+Na]+ 228.147118 153.2
[M-H]- 204.150624 148.6
[M+NH4]+ 223.191723 165.0
[M+K]+ 244.121058 148.0
[M+H-H2O]+ 188.155160 140.3
[M+HCOO]- 250.156101 160.8
[M+CH3COO]- 264.171751 158.2
[M+Na-2H]- 226.132566 151.7
[M]+ 205.15735142 138.4
[M]- 205.15844858 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