CID 117045887

5-azatricyclo[4.1.0.0,2,4]heptane hydrochloride

Structural Information

Molecular Formula
C6H9N
SMILES
C1C2C1NC3C2C3
InChI
InChI=1S/C6H9N/c1-3-4-2-6(4)7-5(1)3/h3-7H,1-2H2
InChIKey
MYGNYZYPCFEZJB-UHFFFAOYSA-N
Compound name
5-azatricyclo[4.1.0.02,4]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

95.0735 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 134.9
[M+Na]+ 118.06272 144.8
[M-H]- 94.066224 138.5
[M+NH4]+ 113.10732 148.1
[M+K]+ 134.03666 141.1
[M+H-H2O]+ 78.070760 129.7
[M+HCOO]- 140.07170 151.8
[M+CH3COO]- 154.08735 146.0
[M+Na-2H]- 116.04817 139.7
[M]+ 95.072951 136.8
[M]- 95.074049 136.8
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.