CID 15867429

(6r,8s)-2,2,8-trimethyl-1,7-dioxaspiro[5.5]undecane

Structural Information

Molecular Formula
C12H22O2
SMILES
C[C@H]1CCC[C@]2(O1)CCCC(O2)(C)C
InChI
InChI=1S/C12H22O2/c1-10-6-4-8-12(13-10)9-5-7-11(2,3)14-12/h10H,4-9H2,1-3H3/t10-,12+/m0/s1
InChIKey
YYHUMKLNIINDOW-CMPLNLGQSA-N
Compound name
(6R,8S)-2,2,8-trimethyl-1,7-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.16199 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 144.9
[M+Na]+ 221.15121 149.9
[M-H]- 197.15471 151.1
[M+NH4]+ 216.19581 165.7
[M+K]+ 237.12515 151.2
[M+H-H2O]+ 181.15925 139.6
[M+HCOO]- 243.16019 159.8
[M+CH3COO]- 257.17584 183.1
[M+Na-2H]- 219.13666 151.9
[M]+ 198.16144 140.6
[M]- 198.16254 140.6
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.