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 162.5
[M+Na]+ 298.04132 174.5
[M-H]- 274.04482 168.7
[M+NH4]+ 293.08592 178.2
[M+K]+ 314.01526 163.3
[M+H-H2O]+ 258.04936 162.2
[M+HCOO]- 320.05030 176.8
[M+CH3COO]- 334.06595 198.1
[M+Na-2H]- 296.02677 167.3
[M]+ 275.05155 182.3
[M]- 275.05265 182.3
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.