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-oxo-1-pyridinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

222.06406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.071336 145.2
[M+Na]+ 245.053278 156.2
[M-H]- 221.056784 145.5
[M+NH4]+ 240.097883 159.6
[M+K]+ 261.027218 153.7
[M+H-H2O]+ 205.061320 132.7
[M+HCOO]- 267.062261 162.0
[M+CH3COO]- 281.077911 197.3
[M+Na-2H]- 243.038726 147.7
[M]+ 222.06351142 142.0
[M]- 222.06460858 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