CID 21264851

Dtxsid701180331

Structural Information

Molecular Formula
C10H10N2O4
SMILES
CC1=CC(=O)N(C(=C1C#N)O)CCC(=O)O
InChI
InChI=1S/C10H10N2O4/c1-6-4-8(13)12(3-2-9(14)15)10(16)7(6)5-11/h4,16H,2-3H2,1H3,(H,14,15)
InChIKey
IUDHTOURUFYGBC-UHFFFAOYSA-N
Compound name
3-(3-cyano-2-hydroxy-4-methyl-6-oxopyridin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

222.06406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 145.3
[M+Na]+ 245.05328 156.1
[M+NH4]+ 240.09788 147.2
[M+K]+ 261.02722 149.4
[M-H]- 221.05678 136.9
[M+Na-2H]- 243.03873 146.3
[M]+ 222.06351 143.3
[M]- 222.06461 143.3
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