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]+ 142.049866 124.2
[M+Na]+ 164.031808 134.7
[M-H]- 140.035314 123.8
[M+NH4]+ 159.076413 143.2
[M+K]+ 180.005748 131.6
[M+H-H2O]+ 124.039850 119.3
[M+HCOO]- 186.040791 144.8
[M+CH3COO]- 200.056441 166.0
[M+Na-2H]- 162.017256 130.4
[M]+ 141.04204142 122.8
[M]- 141.04313858 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

literature stripe

Patent stripe

patents stripe