CID 125448917

Rac-(1r,5s,6r)-6-bromo-3-azabicyclo[3.1.0]hexane hydrochloride

Structural Information

Molecular Formula
C5H8BrN
SMILES
C1[C@@H]2[C@@H](C2Br)CN1
InChI
InChI=1S/C5H8BrN/c6-5-3-1-7-2-4(3)5/h3-5,7H,1-2H2/t3-,4+,5?
InChIKey
UMKRSNXAKMSWQP-NGQZWQHPSA-N
Compound name
(1R,5S)-6-bromo-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.98401 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.99129 131.5
[M+Na]+ 183.97323 145.5
[M-H]- 159.97673 137.0
[M+NH4]+ 179.01783 152.1
[M+K]+ 199.94717 133.8
[M+H-H2O]+ 143.98127 131.7
[M+HCOO]- 205.98221 150.1
[M+CH3COO]- 219.99786 146.7
[M+Na-2H]- 181.95868 138.8
[M]+ 160.98346 148.4
[M]- 160.98456 148.4
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.