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

27
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 145.2
[M+Na]+ 245.05328 156.2
[M-H]- 221.05678 145.5
[M+NH4]+ 240.09788 159.6
[M+K]+ 261.02722 153.7
[M+H-H2O]+ 205.06132 132.7
[M+HCOO]- 267.06226 162.0
[M+CH3COO]- 281.07791 197.3
[M+Na-2H]- 243.03873 147.7
[M]+ 222.06351 142.0
[M]- 222.06461 142.0
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