CID 154577310

2418594-27-9

Structural Information

Molecular Formula
C11H18BrNO2
SMILES
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C1)CBr
InChI
InChI=1S/C11H18BrNO2/c1-10(2,3)15-9(14)13-5-8-4-11(8,6-12)7-13/h8H,4-7H2,1-3H3/t8-,11-/m1/s1
InChIKey
ATWQFLKWPBSHFF-LDYMZIIASA-N
Compound name
tert-butyl (1S,5S)-1-(bromomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0521 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05938 154.0
[M+Na]+ 298.04132 155.5
[M+NH4]+ 293.08592 159.7
[M+K]+ 314.01526 157.9
[M-H]- 274.04482 158.1
[M+Na-2H]- 296.02677 156.9
[M]+ 275.05155 155.2
[M]- 275.05265 155.2
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.