CID 90406

5-hydroxy-2-methylpyridine 1-oxide

Structural Information

Molecular Formula
C6H7NO2
SMILES
CC1=[N+](C=C(C=C1)O)[O-]
InChI
InChI=1S/C6H7NO2/c1-5-2-3-6(8)4-7(5)9/h2-4,8H,1H3
InChIKey
RFESWJXQFMZDBQ-UHFFFAOYSA-N
Compound name
6-methyl-1-oxidopyridin-1-ium-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

125.047676 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 121.1
[M+Na]+ 148.036894 130.7
[M-H]- 124.040400 121.7
[M+NH4]+ 143.081499 140.9
[M+K]+ 164.010834 124.2
[M+H-H2O]+ 108.044936 120.8
[M+HCOO]- 170.045877 143.5
[M+CH3COO]- 184.061527 158.5
[M+Na-2H]- 146.022342 130.5
[M]+ 125.04712742 118.6
[M]- 125.04822458 118.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe