CID 6451787

1-oxaspiro[4.6]undecan-2-one

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CCCC2(CC1)CCC(=O)O2

InChI

InChI=1S/C10H16O2/c11-9-5-8-10(12-9)6-3-1-2-4-7-10/h1-8H2

InChIKey

IRLOXNABJNDEKF-UHFFFAOYSA-N

Compound name

1-oxaspiro[4.6]undecan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 2.4
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]+	169.122316	133.8
[M+Na]+	191.104258	136.9
[M-H]-	167.107764	140.0
[M+NH4]+	186.148863	154.7
[M+K]+	207.078198	139.0
[M+H-H2O]+	151.112300	129.0
[M+HCOO]-	213.113241	151.8
[M+CH3COO]-	227.128891	177.0
[M+Na-2H]-	189.089706	138.5
[M]+	168.11449142	125.6
[M]-	168.11558858	125.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.