CID 137838065

2138222-92-9

Structural Information

Molecular Formula
C12H20BrNO2
SMILES
CC(C)(C)OC(=O)N1CC2CC1CC(C2)Br
InChI
InChI=1S/C12H20BrNO2/c1-12(2,3)16-11(15)14-7-8-4-9(13)6-10(14)5-8/h8-10H,4-7H2,1-3H3
InChIKey
LTSPQYYFBBRVCY-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromo-6-azabicyclo[3.2.1]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.06775 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07503 166.7
[M+Na]+ 312.05697 176.1
[M-H]- 288.06047 170.4
[M+NH4]+ 307.10157 188.5
[M+K]+ 328.03091 166.1
[M+H-H2O]+ 272.06501 167.6
[M+HCOO]- 334.06595 179.6
[M+CH3COO]- 348.08160 197.2
[M+Na-2H]- 310.04242 170.0
[M]+ 289.06720 184.0
[M]- 289.06830 184.0
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.