CID 165949782

6,6,8,8-tetramethyl-7-oxaspiro[3.5]nonan-2-one

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CC1(CC2(CC(=O)C2)CC(O1)(C)C)C

InChI

InChI=1S/C12H20O2/c1-10(2)7-12(5-9(13)6-12)8-11(3,4)14-10/h5-8H2,1-4H3

InChIKey

LFILDXMNKNOZBX-UHFFFAOYSA-N

Compound name

6,6,8,8-tetramethyl-7-oxaspiro[3.5]nonan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.14633 Da
Monoisotopic Mass: 1.4
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]+	197.153606	138.6
[M+Na]+	219.135548	145.8
[M-H]-	195.139054	145.6
[M+NH4]+	214.180153	157.0
[M+K]+	235.109488	148.4
[M+H-H2O]+	179.143590	131.7
[M+HCOO]-	241.144531	156.0
[M+CH3COO]-	255.160181	187.9
[M+Na-2H]-	217.120996	146.0
[M]+	196.14578142	146.7
[M]-	196.14687858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.