CID 13153315

90685-58-8

Structural Information

Molecular Formula
C8H9NO
SMILES
C1CC2=C(C1)[N+](=CC=C2)[O-]
InChI
InChI=1S/C8H9NO/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2
InChIKey
BSLCBYOXMDACSD-UHFFFAOYSA-N
Compound name
1-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

135.06842 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 125.9
[M+Na]+ 158.057638 134.3
[M-H]- 134.061144 128.0
[M+NH4]+ 153.102243 148.3
[M+K]+ 174.031578 127.5
[M+H-H2O]+ 118.065680 125.1
[M+HCOO]- 180.066621 148.1
[M+CH3COO]- 194.082271 162.3
[M+Na-2H]- 156.043086 134.9
[M]+ 135.06787142 122.2
[M]- 135.06896858 122.2
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