CID 132327733

2126143-38-0

Structural Information

Molecular Formula
C10H16BrNO2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2Br
InChI
InChI=1S/C10H16BrNO2/c1-10(2,3)14-9(13)12-4-6-7(5-12)8(6)11/h6-8H,4-5H2,1-3H3/t6-,7+,8?
InChIKey
DJOQQTFAEPYOSQ-DHBOJHSNSA-N
Compound name
tert-butyl (1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.03644 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04372 159.8
[M+Na]+ 284.02566 173.3
[M-H]- 260.02916 166.5
[M+NH4]+ 279.07026 177.7
[M+K]+ 299.99960 161.9
[M+H-H2O]+ 244.03370 160.1
[M+HCOO]- 306.03464 176.2
[M+CH3COO]- 320.05029 195.1
[M+Na-2H]- 282.01111 163.9
[M]+ 261.03589 181.1
[M]- 261.03699 181.1
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.