CID 10442731

(2s,4r,6r,8s)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane

Structural Information

Molecular Formula
C12H22O2
SMILES
C[C@H]1CCC[C@]2(O1)C[C@@H](C[C@@H](O2)C)C
InChI
InChI=1S/C12H22O2/c1-9-7-11(3)14-12(8-9)6-4-5-10(2)13-12/h9-11H,4-8H2,1-3H3/t9-,10+,11+,12-/m1/s1
InChIKey
GQFXONDLLBLIDP-NOOOWODRSA-N
Compound name
(2S,4R,6R,8S)-2,4,8-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

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 145.7
[M+Na]+ 221.15121 150.7
[M-H]- 197.15471 151.9
[M+NH4]+ 216.19581 164.9
[M+K]+ 237.12515 151.7
[M+H-H2O]+ 181.15925 140.1
[M+HCOO]- 243.16019 160.7
[M+CH3COO]- 257.17584 184.5
[M+Na-2H]- 219.13666 151.0
[M]+ 198.16144 141.5
[M]- 198.16254 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.