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]+ 203.042976 141.9
[M+Na]+ 225.024918 150.5
[M-H]- 201.028424 142.1
[M+NH4]+ 220.069523 172.1
[M+K]+ 240.998858 140.4
[M+H-H2O]+ 185.032960 143.7
[M+HCOO]- 247.033901 152.2
[M+CH3COO]- 261.049551 154.9
[M+Na-2H]- 223.010366 155.3
[M]+ 202.03515142 159.4
[M]- 202.03624858 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