CID 96037

2(1h)-pyridone, 1,5-dihydroxy-6-methyl-

Structural Information

Molecular Formula
C6H7NO3
SMILES
CC1=C(C=CC(=O)N1O)O
InChI
InChI=1S/C6H7NO3/c1-4-5(8)2-3-6(9)7(4)10/h2-3,8,10H,1H3
InChIKey
HKJWKFFPMYOILH-UHFFFAOYSA-N
Compound name
1,5-dihydroxy-6-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

141.04259 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 123.1
[M+Na]+ 164.031808 134.0
[M-H]- 140.035314 124.1
[M+NH4]+ 159.076413 142.8
[M+K]+ 180.005748 131.9
[M+H-H2O]+ 124.039850 118.0
[M+HCOO]- 186.040791 145.2
[M+CH3COO]- 200.056441 168.5
[M+Na-2H]- 162.017256 129.9
[M]+ 141.04204142 123.5
[M]- 141.04313858 123.5
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