CID 85205011

Dtxsid101022034

Structural Information

Molecular Formula
C10H12N2O6
SMILES
COC1=C(C(=NC=C1)C(=O)NC(CO)C(=O)O)O
InChI
InChI=1S/C10H12N2O6/c1-18-6-2-3-11-7(8(6)14)9(15)12-5(4-13)10(16)17/h2-3,5,13-14H,4H2,1H3,(H,12,15)(H,16,17)
InChIKey
WUAZBGAJURVTGT-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

256.06955 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07683 152.8
[M+Na]+ 279.05877 158.6
[M-H]- 255.06227 151.4
[M+NH4]+ 274.10337 165.7
[M+K]+ 295.03271 157.7
[M+H-H2O]+ 239.06681 145.9
[M+HCOO]- 301.06775 170.9
[M+CH3COO]- 315.08340 190.4
[M+Na-2H]- 277.04422 154.5
[M]+ 256.06900 153.2
[M]- 256.07010 153.2
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.