CID 125448917

2089245-75-8

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
(1S,5R)-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 123.3
[M+Na]+ 183.97323 126.5
[M+NH4]+ 179.01783 129.7
[M+K]+ 199.94717 129.4
[M-H]- 159.97673 128.6
[M+Na-2H]- 181.95868 127.1
[M]+ 160.98346 124.9
[M]- 160.98456 124.9
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.