CID 6452049

4625-90-5

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CC(C)C1CCC2(CC1)CCC(=O)O2

InChI

InChI=1S/C12H20O2/c1-9(2)10-3-6-12(7-4-10)8-5-11(13)14-12/h9-10H,3-8H2,1-2H3

InChIKey

VPSQYLNVIBQLTO-UHFFFAOYSA-N

Compound name

8-propan-2-yl-1-oxaspiro[4.5]decan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 161
Patents: 196.14633 Da
Monoisotopic Mass: 2.9
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]+	197.15361	145.9
[M+Na]+	219.13555	150.8
[M-H]-	195.13905	151.3
[M+NH4]+	214.18015	167.9
[M+K]+	235.10949	150.3
[M+H-H2O]+	179.14359	141.0
[M+HCOO]-	241.14453	163.1
[M+CH3COO]-	255.16018	182.8
[M+Na-2H]-	217.12100	148.3
[M]+	196.14578	141.4
[M]-	196.14688	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe