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]+ 159.10158 130.3
[M+Na]+ 181.08352 137.9
[M-H]- 157.08702 135.0
[M+NH4]+ 176.12812 152.8
[M+K]+ 197.05746 140.6
[M+H-H2O]+ 141.09156 127.0
[M+HCOO]- 203.09250 147.6
[M+CH3COO]- 217.10815 175.7
[M+Na-2H]- 179.06897 140.0
[M]+ 158.09375 132.5
[M]- 158.09485 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.