CID 155388

70636-88-3

Structural Information

Molecular Formula
C10H18O3
SMILES
CC12OCC(CO1)(CO2)C(C)(C)C
InChI
InChI=1S/C10H18O3/c1-8(2,3)10-5-11-9(4,12-6-10)13-7-10/h5-7H2,1-4H3
InChIKey
RFOOWUVDJFJZDN-UHFFFAOYSA-N
Compound name
4-tert-butyl-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 140.3
[M+Na]+ 209.11482 146.1
[M-H]- 185.11832 139.4
[M+NH4]+ 204.15942 164.6
[M+K]+ 225.08876 149.0
[M+H-H2O]+ 169.12286 136.3
[M+HCOO]- 231.12380 148.3
[M+CH3COO]- 245.13945 152.0
[M+Na-2H]- 207.10027 156.9
[M]+ 186.12505 145.7
[M]- 186.12615 145.7
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.