CID 23336699

2-azaspiro[4.6]undecan-3-one

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

C1CCCC2(CC1)CC(=O)NC2

InChI

InChI=1S/C10H17NO/c12-9-7-10(8-11-9)5-3-1-2-4-6-10/h1-8H2,(H,11,12)

InChIKey

YXTWCCJCYBPHGQ-UHFFFAOYSA-N

Compound name

2-azaspiro[4.6]undecan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 167.13101 Da
Monoisotopic Mass: 2.0
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]+	168.13829	137.4
[M+Na]+	190.12023	144.5
[M+NH4]+	185.16483	146.5
[M+K]+	206.09417	140.2
[M-H]-	166.12373	138.6
[M+Na-2H]-	188.10568	142.7
[M]+	167.13046	138.6
[M]-	167.13156	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe