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 142.0
[M+Na]+ 227.00420 154.0
[M-H]- 203.00770 148.4
[M+NH4]+ 222.04880 171.9
[M+K]+ 242.97814 145.2
[M+H-H2O]+ 187.01224 145.3
[M+HCOO]- 249.01318 160.8
[M+CH3COO]- 263.02883 157.9
[M+Na-2H]- 224.98965 150.6
[M]+ 204.01443 160.7
[M]- 204.01553 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.