CID 17783223

2-azabicyclo[3.1.0]hexane hydrochloride

Structural Information

Molecular Formula
C5H9N
SMILES
C1CNC2C1C2
InChI
InChI=1S/C5H9N/c1-2-6-5-3-4(1)5/h4-6H,1-3H2
InChIKey
WSSDGZWSPMAECX-UHFFFAOYSA-N
Compound name
2-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

886
Patents

83.0735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 116.4
[M+Na]+ 106.06272 128.1
[M+NH4]+ 101.10732 126.6
[M+K]+ 122.03666 125.3
[M-H]- 82.066224 124.1
[M+Na-2H]- 104.04817 123.4
[M]+ 83.072951 121.1
[M]- 83.074049 121.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe