CID 129012091

6-carboxy methyl-4-hydroxy-2-pyridinol

Structural Information

Molecular Formula
C8H9NO4
SMILES
CC1=C(NC(=O)C=C1O)CC(=O)O
InChI
InChI=1S/C8H9NO4/c1-4-5(2-8(12)13)9-7(11)3-6(4)10/h3H,2H2,1H3,(H,12,13)(H2,9,10,11)
InChIKey
MGGXBHMHJPCYSF-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-3-methyl-6-oxo-1H-pyridin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05316 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.060436 134.8
[M+Na]+ 206.042378 144.2
[M-H]- 182.045884 134.0
[M+NH4]+ 201.086983 151.7
[M+K]+ 222.016318 141.2
[M+H-H2O]+ 166.050420 129.4
[M+HCOO]- 228.051361 154.1
[M+CH3COO]- 242.067011 174.4
[M+Na-2H]- 204.027826 138.7
[M]+ 183.05261142 134.1
[M]- 183.05370858 134.1
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

No patent data available for this compound.