CID 101409684

6-ethyl-1-methyl-2,7,8-trioxabicyclo[3.2.1]octane

Structural Information

Molecular Formula
C8H14O3
SMILES
CCC1C2CCOC(O2)(O1)C
InChI
InChI=1S/C8H14O3/c1-3-6-7-4-5-9-8(2,10-6)11-7/h6-7H,3-5H2,1-2H3
InChIKey
CWTQYXSFDFSPQG-UHFFFAOYSA-N
Compound name
6-ethyl-1-methyl-2,7,8-trioxabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 130.3
[M+Na]+ 181.083518 137.9
[M-H]- 157.087024 135.0
[M+NH4]+ 176.128123 152.8
[M+K]+ 197.057458 140.6
[M+H-H2O]+ 141.091560 127.0
[M+HCOO]- 203.092501 147.6
[M+CH3COO]- 217.108151 175.7
[M+Na-2H]- 179.068966 140.0
[M]+ 158.09375142 132.5
[M]- 158.09484858 132.5
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.