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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 138.6
[M+Na]+ 219.13555 145.8
[M-H]- 195.13905 145.6
[M+NH4]+ 214.18015 157.0
[M+K]+ 235.10949 148.4
[M+H-H2O]+ 179.14359 131.7
[M+HCOO]- 241.14453 156.0
[M+CH3COO]- 255.16018 187.9
[M+Na-2H]- 217.12100 146.0
[M]+ 196.14578 146.7
[M]- 196.14688 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.