CID 19760150

Dtxsid701151205

Structural Information

Molecular Formula
C10H12N2O5
SMILES
CC1=CC(=O)N(C(=C1C(=O)N)O)CCC(=O)O
InChI
InChI=1S/C10H12N2O5/c1-5-4-6(13)12(3-2-7(14)15)10(17)8(5)9(11)16/h4,17H,2-3H2,1H3,(H2,11,16)(H,14,15)
InChIKey
UKPPEJOSIVFTHO-UHFFFAOYSA-N
Compound name
3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

240.07462 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.081896 148.9
[M+Na]+ 263.063838 157.7
[M-H]- 239.067344 149.1
[M+NH4]+ 258.108443 163.6
[M+K]+ 279.037778 155.4
[M+H-H2O]+ 223.071880 142.6
[M+HCOO]- 285.072821 168.8
[M+CH3COO]- 299.088471 191.4
[M+Na-2H]- 261.049286 149.7
[M]+ 240.07407142 149.6
[M]- 240.07516858 149.6
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