CID 9543217

2,5,6-trihydroxy-3-methylpyridine

Structural Information

Molecular Formula
C6H7NO3
SMILES
CC1=C(NC(=O)C(=C1)O)O
InChI
InChI=1S/C6H7NO3/c1-3-2-4(8)6(10)7-5(3)9/h2,8H,1H3,(H2,7,9,10)
InChIKey
FRJPMPHSBXEJSF-UHFFFAOYSA-N
Compound name
3,6-dihydroxy-5-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

141.04259 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 124.2
[M+Na]+ 164.03181 134.7
[M-H]- 140.03531 123.8
[M+NH4]+ 159.07641 143.2
[M+K]+ 180.00575 131.6
[M+H-H2O]+ 124.03985 119.3
[M+HCOO]- 186.04079 144.8
[M+CH3COO]- 200.05644 166.0
[M+Na-2H]- 162.01726 130.4
[M]+ 141.04204 122.8
[M]- 141.04314 122.8
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

No patent data available for this compound.