CID 12768

1-bromo-4-methylbicyclo[2.2.2]octane

Structural Information

Molecular Formula
C9H15Br
SMILES
CC12CCC(CC1)(CC2)Br
InChI
InChI=1S/C9H15Br/c1-8-2-5-9(10,6-3-8)7-4-8/h2-7H2,1H3
InChIKey
ULVFCNAPUWBYEJ-UHFFFAOYSA-N
Compound name
1-bromo-4-methylbicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

202.0357 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04298 141.9
[M+Na]+ 225.02492 150.5
[M-H]- 201.02842 142.1
[M+NH4]+ 220.06952 172.1
[M+K]+ 240.99886 140.4
[M+H-H2O]+ 185.03296 143.7
[M+HCOO]- 247.03390 152.2
[M+CH3COO]- 261.04955 154.9
[M+Na-2H]- 223.01037 155.3
[M]+ 202.03515 159.4
[M]- 202.03625 159.4
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

patents stripe