CID 549740

1-bromo-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione

Structural Information

Molecular Formula
C10H13BrO3
SMILES
CC1(C2(CCC1(C(=O)OC2=O)Br)C)C
InChI
InChI=1S/C10H13BrO3/c1-8(2)9(3)4-5-10(8,11)7(13)14-6(9)12/h4-5H2,1-3H3
InChIKey
RYWWJLPKKKYWSY-UHFFFAOYSA-N
Compound name
1-bromo-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.00482 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01210 142.7
[M+Na]+ 282.99404 156.5
[M-H]- 258.99754 149.8
[M+NH4]+ 278.03864 171.3
[M+K]+ 298.96798 147.4
[M+H-H2O]+ 243.00208 146.8
[M+HCOO]- 305.00302 159.5
[M+CH3COO]- 319.01867 191.5
[M+Na-2H]- 280.97949 152.3
[M]+ 260.00427 163.4
[M]- 260.00537 163.4
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.