CID 138546

8-azabicyclo[3.2.1]oct-2-ene hydrochloride

Structural Information

Molecular Formula
C7H11N
SMILES
C1CC2C=CCC1N2
InChI
InChI=1S/C7H11N/c1-2-6-4-5-7(3-1)8-6/h1-2,6-8H,3-5H2
InChIKey
SURHOQQBDZIWSO-UHFFFAOYSA-N
Compound name
8-azabicyclo[3.2.1]oct-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

296
Patents

109.08915 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 121.4
[M+Na]+ 132.07837 132.1
[M+NH4]+ 127.12297 131.7
[M+K]+ 148.05231 127.2
[M-H]- 108.08187 122.3
[M+Na-2H]- 130.06382 125.4
[M]+ 109.08860 122.9
[M]- 109.08970 122.9
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

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