CID 155443885

2573214-04-5

Structural Information

Molecular Formula
C10H15BrO2
SMILES
CC12CCC(CC1)(CO2)C(=O)CBr
InChI
InChI=1S/C10H15BrO2/c1-9-2-4-10(5-3-9,7-13-9)8(12)6-11/h2-7H2,1H3
InChIKey
CQFYWZHPUCTJHI-UHFFFAOYSA-N
Compound name
2-bromo-1-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

246.02554 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03282 151.8
[M+Na]+ 269.01476 152.0
[M+NH4]+ 264.05936 160.6
[M+K]+ 284.98870 148.6
[M-H]- 245.01826 149.7
[M+Na-2H]- 267.00021 149.3
[M]+ 246.02499 150.3
[M]- 246.02609 150.3
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

patents stripe