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]+ 276.059376 162.5
[M+Na]+ 298.041318 174.5
[M-H]- 274.044824 168.7
[M+NH4]+ 293.085923 178.2
[M+K]+ 314.015258 163.3
[M+H-H2O]+ 258.049360 162.2
[M+HCOO]- 320.050301 176.8
[M+CH3COO]- 334.065951 198.1
[M+Na-2H]- 296.026766 167.3
[M]+ 275.05155142 182.3
[M]- 275.05264858 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.