CID 23014427

1-(piperidin-4-yl)-1h-indazole hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₅N₃

SMILES

C1CNCCC1N2C3=CC=CC=C3C=N2

InChI

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

InChIKey

AEODUXMQHQNEAM-UHFFFAOYSA-N

Compound name

1-piperidin-4-ylindazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 201.1266 Da
Monoisotopic Mass: 1.6
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	144.2
[M+Na]+	224.115818	151.6
[M-H]-	200.119324	146.0
[M+NH4]+	219.160423	161.1
[M+K]+	240.089758	146.6
[M+H-H2O]+	184.123860	135.1
[M+HCOO]-	246.124801	161.5
[M+CH3COO]-	260.140451	155.5
[M+Na-2H]-	222.101266	150.2
[M]+	201.12605142	139.4
[M]-	201.12714858	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe