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
1
Annotation Hits

0
References

40
Patents

125.047676 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 121.1
[M+Na]+ 148.03689 130.7
[M-H]- 124.04040 121.7
[M+NH4]+ 143.08150 140.9
[M+K]+ 164.01083 124.2
[M+H-H2O]+ 108.04494 120.8
[M+HCOO]- 170.04588 143.5
[M+CH3COO]- 184.06153 158.5
[M+Na-2H]- 146.02234 130.5
[M]+ 125.04713 118.6
[M]- 125.04822 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