CID 72978332

8,8-dimethyl-2-methylene-6-oxabicyclo[3.2.1]octan-7-one

Structural Information

Molecular Formula
C10H14O2
SMILES
CC1(C2CCC(=C)C1C(=O)O2)C
InChI
InChI=1S/C10H14O2/c1-6-4-5-7-10(2,3)8(6)9(11)12-7/h7-8H,1,4-5H2,2-3H3
InChIKey
LASOZNWHPDFLML-UHFFFAOYSA-N
Compound name
8,8-dimethyl-2-methylidene-6-oxabicyclo[3.2.1]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 132.8
[M+Na]+ 189.08860 141.8
[M-H]- 165.09210 136.7
[M+NH4]+ 184.13320 158.1
[M+K]+ 205.06254 140.5
[M+H-H2O]+ 149.09664 129.6
[M+HCOO]- 211.09758 151.5
[M+CH3COO]- 225.11323 179.7
[M+Na-2H]- 187.07405 138.6
[M]+ 166.09883 132.3
[M]- 166.09993 132.3
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

No patent data available for this compound.