CID 68292

2,3-cyclopentenopyridine

Structural Information

Molecular Formula
C8H9N
SMILES
C1CC2=C(C1)N=CC=C2
InChI
InChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2
InChIKey
KRNSYSYRLQDHDK-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-cyclopenta[b]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3535
Patents

119.0735 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08078 121.4
[M+Na]+ 142.06272 129.7
[M-H]- 118.06622 124.5
[M+NH4]+ 137.10732 145.3
[M+K]+ 158.03666 127.6
[M+H-H2O]+ 102.07076 115.4
[M+HCOO]- 164.07170 144.3
[M+CH3COO]- 178.08735 135.9
[M+Na-2H]- 140.04817 129.8
[M]+ 119.07295 119.6
[M]- 119.07405 119.6
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