CID 98448

Octahydro-1h-cyclopenta[b]pyridine

Structural Information

Molecular Formula
C8H15N
SMILES
C1CC2CCCNC2C1
InChI
InChI=1S/C8H15N/c1-3-7-4-2-6-9-8(7)5-1/h7-9H,1-6H2
InChIKey
CJNWCWVQGCSQRA-UHFFFAOYSA-N
Compound name
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

368
Patents

125.12045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.12773 128.2
[M+Na]+ 148.10967 132.9
[M-H]- 124.11317 128.7
[M+NH4]+ 143.15427 150.8
[M+K]+ 164.08361 130.5
[M+H-H2O]+ 108.11771 122.3
[M+HCOO]- 170.11865 145.1
[M+CH3COO]- 184.13430 140.2
[M+Na-2H]- 146.09512 132.9
[M]+ 125.11990 120.1
[M]- 125.12100 120.1
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