CID 5529477

149692-82-0

Structural Information

Molecular Formula

C₁₂H₁₅N₃

SMILES

C1CNCCC1C2=CNC3=C2C=CC=N3

InChI

InChI=1S/C12H15N3/c1-2-10-11(8-15-12(10)14-5-1)9-3-6-13-7-4-9/h1-2,5,8-9,13H,3-4,6-7H2,(H,14,15)

InChIKey

OUNKWLVIJBPPIF-UHFFFAOYSA-N

Compound name

3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 201.1266 Da
Monoisotopic Mass: 1.4
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]+	202.133876	144.4
[M+Na]+	224.115818	151.4
[M-H]-	200.119324	144.9
[M+NH4]+	219.160423	160.6
[M+K]+	240.089758	145.5
[M+H-H2O]+	184.123860	135.7
[M+HCOO]-	246.124801	160.3
[M+CH3COO]-	260.140451	155.1
[M+Na-2H]-	222.101266	150.1
[M]+	201.12605142	137.8
[M]-	201.12714858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe