CID 141170

3-hydroxy-1-methylpyridinium iodide

Structural Information

Molecular Formula
C6H8NO
SMILES
C[N+]1=CC=CC(=C1)O
InChI
InChI=1S/C6H7NO/c1-7-4-2-3-6(8)5-7/h2-5H,1H3/p+1
InChIKey
FZVAZYLFYPULKX-UHFFFAOYSA-O
Compound name
1-methylpyridin-1-ium-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

23
Patents

110.06059 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.06787 116.4
[M+Na]+ 133.04981 132.3
[M+NH4]+ 128.09441 126.6
[M+K]+ 149.02375 126.7
[M-H]- 109.05331 119.9
[M+Na-2H]- 131.03526 125.5
[M]+ 110.06004 120.0
[M]- 110.06114 120.0
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