CID 146082096

6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one

Structural Information

Molecular Formula
C12H20O3
SMILES
CC1(CC(=O)C(C2(C1)OCCO2)(C)C)C
InChI
InChI=1S/C12H20O3/c1-10(2)7-9(13)11(3,4)12(8-10)14-5-6-15-12/h5-8H2,1-4H3
InChIKey
ZWHMIFVMZUZJAU-UHFFFAOYSA-N
Compound name
6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.14125 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 141.9
[M+Na]+ 235.13047 150.1
[M-H]- 211.13397 149.1
[M+NH4]+ 230.17507 166.4
[M+K]+ 251.10441 151.1
[M+H-H2O]+ 195.13851 139.0
[M+HCOO]- 257.13945 159.5
[M+CH3COO]- 271.15510 185.1
[M+Na-2H]- 233.11592 149.0
[M]+ 212.14070 141.7
[M]- 212.14180 141.7
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.