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-oxopyridin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

240.07462 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08190 148.9
[M+Na]+ 263.06384 157.7
[M-H]- 239.06734 149.1
[M+NH4]+ 258.10844 163.6
[M+K]+ 279.03778 155.4
[M+H-H2O]+ 223.07188 142.6
[M+HCOO]- 285.07282 168.8
[M+CH3COO]- 299.08847 191.4
[M+Na-2H]- 261.04929 149.7
[M]+ 240.07407 149.6
[M]- 240.07517 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