CID 154577468

2418709-90-5

Structural Information

Molecular Formula
C14H24BrNO2
SMILES
CC(C)(C)OC(=O)N1CC2CCCC(C2)(C1)CBr
InChI
InChI=1S/C14H24BrNO2/c1-13(2,3)18-12(17)16-8-11-5-4-6-14(7-11,9-15)10-16/h11H,4-10H2,1-3H3
InChIKey
DOPISKFTFNWRKG-UHFFFAOYSA-N
Compound name
tert-butyl 1-(bromomethyl)-3-azabicyclo[3.3.1]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.09903 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10631 171.3
[M+Na]+ 340.08825 178.8
[M-H]- 316.09175 174.2
[M+NH4]+ 335.13285 191.7
[M+K]+ 356.06219 168.8
[M+H-H2O]+ 300.09629 171.9
[M+HCOO]- 362.09723 181.4
[M+CH3COO]- 376.11288 201.7
[M+Na-2H]- 338.07370 176.9
[M]+ 317.09848 187.5
[M]- 317.09958 187.5
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.