CID 102594443

Methyl 4-(bromomethyl)bicyclo[2.2.2]octane-1-carboxylate

Structural Information

Molecular Formula
C11H17BrO2
SMILES
COC(=O)C12CCC(CC1)(CC2)CBr
InChI
InChI=1S/C11H17BrO2/c1-14-9(13)11-5-2-10(8-12,3-6-11)4-7-11/h2-8H2,1H3
InChIKey
MZEOLPWRJRJUNY-UHFFFAOYSA-N
Compound name
methyl 4-(bromomethyl)bicyclo[2.2.2]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0412 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04848 155.5
[M+Na]+ 283.03042 163.0
[M-H]- 259.03392 155.0
[M+NH4]+ 278.07502 183.3
[M+K]+ 299.00436 153.4
[M+H-H2O]+ 243.03846 157.1
[M+HCOO]- 305.03940 164.6
[M+CH3COO]- 319.05505 167.3
[M+Na-2H]- 281.01587 167.1
[M]+ 260.04065 175.1
[M]- 260.04175 175.1
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.