CID 130825301

1-(bromomethyl)bicyclo[2.2.2]octane

Structural Information

Molecular Formula
C9H15Br
SMILES
C1CC2(CCC1CC2)CBr
InChI
InChI=1S/C9H15Br/c10-7-9-4-1-8(2-5-9)3-6-9/h8H,1-7H2
InChIKey
IAPCNOHMCZUSRX-UHFFFAOYSA-N
Compound name
1-(bromomethyl)bicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0357 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04298 141.9
[M+Na]+ 225.02492 149.4
[M-H]- 201.02842 141.6
[M+NH4]+ 220.06952 170.2
[M+K]+ 240.99886 139.4
[M+H-H2O]+ 185.03296 143.6
[M+HCOO]- 247.03390 152.3
[M+CH3COO]- 261.04955 154.5
[M+Na-2H]- 223.01037 154.5
[M]+ 202.03515 158.9
[M]- 202.03625 158.9
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.