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]+ 203.042976 141.9
[M+Na]+ 225.024918 149.4
[M-H]- 201.028424 141.6
[M+NH4]+ 220.069523 170.2
[M+K]+ 240.998858 139.4
[M+H-H2O]+ 185.032960 143.6
[M+HCOO]- 247.033901 152.3
[M+CH3COO]- 261.049551 154.5
[M+Na-2H]- 223.010366 154.5
[M]+ 202.03515142 158.9
[M]- 202.03624858 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.