CID 138805

2-azabicyclo[2.2.1]hept-5-ene

Structural Information

Molecular Formula
C6H9N
SMILES
C1C2CNC1C=C2
InChI
InChI=1S/C6H9N/c1-2-6-3-5(1)4-7-6/h1-2,5-7H,3-4H2
InChIKey
KPFWYFYRULFDQP-UHFFFAOYSA-N
Compound name
2-azabicyclo[2.2.1]hept-5-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

161
Patents

95.0735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 118.4
[M+Na]+ 118.06272 126.3
[M-H]- 94.066224 118.7
[M+NH4]+ 113.10732 144.9
[M+K]+ 134.03666 124.5
[M+H-H2O]+ 78.070760 113.6
[M+HCOO]- 140.07170 139.5
[M+CH3COO]- 154.08735 132.6
[M+Na-2H]- 116.04817 124.7
[M]+ 95.072951 115.3
[M]- 95.074049 115.3
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