CID 44147198

6aqt87pg7q

Structural Information

Molecular Formula

C₁₃H₁₈O₂

SMILES

CC1=CCC2(O1)C(=CC(=O)CC2(C)C)C

InChI

InChI=1S/C13H18O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h5,7H,6,8H2,1-4H3

InChIKey

PYBOFDINXIGETR-UHFFFAOYSA-N

Compound name

2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 34
Patents: 206.13068 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]+	207.13796	141.8
[M+Na]+	229.11990	151.6
[M-H]-	205.12340	149.1
[M+NH4]+	224.16450	166.4
[M+K]+	245.09384	150.3
[M+H-H2O]+	189.12794	138.0
[M+HCOO]-	251.12888	162.8
[M+CH3COO]-	265.14453	186.2
[M+Na-2H]-	227.10535	147.3
[M]+	206.13013	142.6
[M]-	206.13123	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe