CID 66842432

928056-16-0

Structural Information

Molecular Formula
C13H20BrNO3
SMILES
CC(C)(C)OC(=O)N1C2CCCC1C(C(=O)C2)Br
InChI
InChI=1S/C13H20BrNO3/c1-13(2,3)18-12(17)15-8-5-4-6-9(15)11(14)10(16)7-8/h8-9,11H,4-7H2,1-3H3
InChIKey
WVPWFWLOIKDMAW-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

317.06265 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.06993 167.8
[M+Na]+ 340.05187 176.5
[M-H]- 316.05537 171.2
[M+NH4]+ 335.09647 186.6
[M+K]+ 356.02581 166.5
[M+H-H2O]+ 300.05991 168.1
[M+HCOO]- 362.06085 178.5
[M+CH3COO]- 376.07650 202.8
[M+Na-2H]- 338.03732 171.7
[M]+ 317.06210 184.6
[M]- 317.06320 184.6
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