CID 10176607

Tc-2216

Structural Information

Molecular Formula

C₁₂H₁₇N₃

SMILES

C1CC2(CCN(C2)C3=CN=CC=C3)NC1

InChI

InChI=1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2

InChIKey

NXIPMBQVNTWEEX-UHFFFAOYSA-N

Compound name

7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 47
Patents: 203.14224 Da
Monoisotopic Mass: 1.0
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]+	204.14952	148.3
[M+Na]+	226.13146	158.9
[M+NH4]+	221.17606	158.3
[M+K]+	242.10540	153.9
[M-H]-	202.13496	151.0
[M+Na-2H]-	224.11691	156.1
[M]+	203.14169	150.5
[M]-	203.14279	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe