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

133
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 117.4
[M+Na]+ 118.06272 127.2
[M+NH4]+ 113.10732 127.6
[M+K]+ 134.03666 124.7
[M-H]- 94.066224 117.6
[M+Na-2H]- 116.04817 120.7
[M]+ 95.072951 118.6
[M]- 95.074049 118.6
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