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]+ 205.02226 147.9
[M+Na]+ 227.00420 147.9
[M+NH4]+ 222.04880 156.3
[M+K]+ 242.97814 147.6
[M-H]- 203.00770 148.2
[M+Na-2H]- 224.98965 148.9
[M]+ 204.01443 147.0
[M]- 204.01553 147.0
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.