CID 6501606

87628-50-0

Structural Information

Molecular Formula

C₁₂H₁₃N₃

SMILES

C1CNCC2=C1NN=C2C3=CC=CC=C3

InChI

InChI=1S/C12H13N3/c1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12/h1-5,13H,6-8H2,(H,14,15)

InChIKey

TZFHJMGEXWVRKQ-UHFFFAOYSA-N

Compound name

3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 199.11095 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.118226	144.0
[M+Na]+	222.100168	151.1
[M-H]-	198.103674	144.5
[M+NH4]+	217.144773	160.2
[M+K]+	238.074108	145.1
[M+H-H2O]+	182.108210	135.3
[M+HCOO]-	244.109151	159.9
[M+CH3COO]-	258.124801	154.7
[M+Na-2H]-	220.085616	149.7
[M]+	199.11040142	137.4
[M]-	199.11149858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe