CID 146155628

4-(bromomethyl)-1-methyl-2-oxabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C8H13BrO
SMILES
CC12CCC(C1)(CO2)CBr
InChI
InChI=1S/C8H13BrO/c1-7-2-3-8(4-7,5-9)6-10-7/h2-6H2,1H3
InChIKey
YNOHNVMVPLCTQI-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-methyl-2-oxabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01498 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.022256 142.0
[M+Na]+ 227.004198 154.0
[M-H]- 203.007704 148.4
[M+NH4]+ 222.048803 171.9
[M+K]+ 242.978138 145.2
[M+H-H2O]+ 187.012240 145.3
[M+HCOO]- 249.013181 160.8
[M+CH3COO]- 263.028831 157.9
[M+Na-2H]- 224.989646 150.6
[M]+ 204.01443142 160.7
[M]- 204.01552858 160.7
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.