CID 23069

6602-28-4

Structural Information

Molecular Formula
C5H5NO2
SMILES
C1=CC(=C[N+](=C1)[O-])O
InChI
InChI=1S/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4,7H
InChIKey
YMEZKRMAPQIBQH-UHFFFAOYSA-N
Compound name
1-oxidopyridin-1-ium-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

696
Patents

111.03203 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.039306 116.8
[M+Na]+ 134.021248 125.9
[M-H]- 110.024754 117.2
[M+NH4]+ 129.065853 136.8
[M+K]+ 149.995188 119.6
[M+H-H2O]+ 94.029290 116.5
[M+HCOO]- 156.030231 139.5
[M+CH3COO]- 170.045881 154.3
[M+Na-2H]- 132.006696 127.4
[M]+ 111.03148142 113.5
[M]- 111.03257858 113.5
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