CID 59047399

3-azaspiro[5.5]undecan-9-one hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

C1CC2(CCC1=O)CCNCC2

InChI

InChI=1S/C10H17NO/c12-9-1-3-10(4-2-9)5-7-11-8-6-10/h11H,1-8H2

InChIKey

ZPKCBDBPTCYRLX-UHFFFAOYSA-N

Compound name

3-azaspiro[5.5]undecan-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 167.13101 Da
Monoisotopic Mass: 0.6
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]+	168.13829	141.0
[M+Na]+	190.12023	151.2
[M+NH4]+	185.16483	151.5
[M+K]+	206.09417	142.6
[M-H]-	166.12373	143.4
[M+Na-2H]-	188.10568	147.3
[M]+	167.13046	143.0
[M]-	167.13156	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe