CID 99837

67845-35-6

Structural Information

Molecular Formula
C12H22O2
SMILES
CC1CC(CC2(C1)OCCCO2)(C)C
InChI
InChI=1S/C12H22O2/c1-10-7-11(2,3)9-12(8-10)13-5-4-6-14-12/h10H,4-9H2,1-3H3
InChIKey
WMQPHZWRWIPBFD-UHFFFAOYSA-N
Compound name
8,10,10-trimethyl-1,5-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.16199 Da
Monoisotopic Mass

3.1
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

literature stripe

Patent stripe

patents stripe