CID 12815220

(5r)-1-azabicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C5H9N
SMILES
C1C[C@@H]2CN2C1
InChI
InChI=1S/C5H9N/c1-2-5-4-6(5)3-1/h5H,1-4H2/t5-,6?/m1/s1
InChIKey
QRDSDKAGXMWBID-LWOQYNTDSA-N
Compound name
(5R)-1-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

83.0735 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 118.2
[M+Na]+ 106.06272 128.3
[M-H]- 82.066224 122.2
[M+NH4]+ 101.10732 138.6
[M+K]+ 122.03666 126.5
[M+H-H2O]+ 66.070760 112.3
[M+HCOO]- 128.07170 140.4
[M+CH3COO]- 142.08735 132.6
[M+Na-2H]- 104.04817 125.8
[M]+ 83.072951 118.7
[M]- 83.074049 118.7
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

patents stripe