CID 82586328

1469728-01-5

Structural Information

Molecular Formula

C₉H₁₅N₃

SMILES

CC(C)N1C2=C(CNCC2)C=N1

InChI

InChI=1S/C9H15N3/c1-7(2)12-9-3-4-10-5-8(9)6-11-12/h6-7,10H,3-5H2,1-2H3

InChIKey

KZSZNEHSOBRKEK-UHFFFAOYSA-N

Compound name

1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 165.1266 Da
Monoisotopic Mass: 0.4
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]+	166.13388	137.6
[M+Na]+	188.11582	148.5
[M+NH4]+	183.16042	145.7
[M+K]+	204.08976	144.6
[M-H]-	164.11932	137.6
[M+Na-2H]-	186.10127	141.5
[M]+	165.12605	138.9
[M]-	165.12715	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe