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

0
Patents

141.04259 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 123.1
[M+Na]+ 164.03181 134.0
[M-H]- 140.03531 124.1
[M+NH4]+ 159.07641 142.8
[M+K]+ 180.00575 131.9
[M+H-H2O]+ 124.03985 118.0
[M+HCOO]- 186.04079 145.2
[M+CH3COO]- 200.05644 168.5
[M+Na-2H]- 162.01726 129.9
[M]+ 141.04204 123.5
[M]- 141.04314 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