CID 98954

6,8-dioxabicyclo[3.2.1]octane, 7-ethyl-5-methyl-, (1r-exo)-

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC1C2CCCC(O2)(O1)C
InChI
InChI=1S/C9H16O2/c1-3-7-8-5-4-6-9(2,10-7)11-8/h7-8H,3-6H2,1-2H3
InChIKey
YONXEBYXWVCXIV-UHFFFAOYSA-N
Compound name
7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

156.11504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 132.1
[M+Na]+ 179.104258 139.2
[M-H]- 155.107764 136.0
[M+NH4]+ 174.148863 156.1
[M+K]+ 195.078198 140.3
[M+H-H2O]+ 139.112300 128.4
[M+HCOO]- 201.113241 149.8
[M+CH3COO]- 215.128891 176.2
[M+Na-2H]- 177.089706 140.3
[M]+ 156.11449142 132.5
[M]- 156.11558858 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

literature stripe

Patent stripe

patents stripe