CID 137964534

2307733-04-4

Structural Information

Molecular Formula
C11H18BrNO2
SMILES
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2Br
InChI
InChI=1S/C11H18BrNO2/c1-11(2,3)15-10(14)13-5-4-7-8(6-13)9(7)12/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m0/s1
InChIKey
WXNSENOPSKVLMS-DJLDLDEBSA-N
Compound name
tert-butyl (1S,6S,7R)-7-bromo-3-azabicyclo[4.1.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0521 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05938 146.6
[M+Na]+ 298.04132 149.3
[M+NH4]+ 293.08592 151.5
[M+K]+ 314.01526 151.9
[M-H]- 274.04482 151.3
[M+Na-2H]- 296.02677 149.4
[M]+ 275.05155 148.1
[M]- 275.05265 148.1
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.