CID 13150523

3-azabicyclo[3.1.0]hexane hydrochloride

Structural Information

Molecular Formula
C5H9N
SMILES
C1C2C1CNC2
InChI
InChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2
InChIKey
HGWUUOXXAIISDB-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

13037
Patents

83.0735 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 117.3
[M+Na]+ 106.06272 127.0
[M-H]- 82.066224 119.9
[M+NH4]+ 101.10732 137.0
[M+K]+ 122.03666 124.2
[M+H-H2O]+ 66.070760 111.6
[M+HCOO]- 128.07170 138.1
[M+CH3COO]- 142.08735 131.1
[M+Na-2H]- 104.04817 124.5
[M]+ 83.072951 116.0
[M]- 83.074049 116.0
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