CID 56841312

94201-23-7

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CC1CC(C2(C1)CC(C(=O)O2)C)(C)C

InChI

InChI=1S/C12H20O2/c1-8-5-11(3,4)12(6-8)7-9(2)10(13)14-12/h8-9H,5-7H2,1-4H3

InChIKey

SRBBNOADJAJPQO-UHFFFAOYSA-N

Compound name

3,7,9,9-tetramethyl-1-oxaspiro[4.4]nonan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.14633 Da
Monoisotopic Mass: 3.1
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]+	197.153606	141.4
[M+Na]+	219.135548	150.4
[M-H]-	195.139054	148.3
[M+NH4]+	214.180153	168.0
[M+K]+	235.109488	149.3
[M+H-H2O]+	179.143590	138.9
[M+HCOO]-	241.144531	161.9
[M+CH3COO]-	255.160181	184.0
[M+Na-2H]-	217.120996	144.3
[M]+	196.14578142	141.0
[M]-	196.14687858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.