CID 167723273

1-(bromomethyl)-4-methylbicyclo[2.2.2]octane

Structural Information

Molecular Formula
C10H17Br
SMILES
CC12CCC(CC1)(CC2)CBr
InChI
InChI=1S/C10H17Br/c1-9-2-5-10(8-11,6-3-9)7-4-9/h2-8H2,1H3
InChIKey
GRGZQIVJORFHRB-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-methylbicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05136 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05864 148.1
[M+Na]+ 239.04058 149.1
[M+NH4]+ 234.08518 158.3
[M+K]+ 255.01452 144.0
[M-H]- 215.04408 146.3
[M+Na-2H]- 237.02603 147.0
[M]+ 216.05081 146.9
[M]- 216.05191 146.9
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.