CID 54726589

198213-15-9

Structural Information

Molecular Formula
C7H9NO4
SMILES
COC(=O)C1=C(CCNC1=O)O
InChI
InChI=1S/C7H9NO4/c1-12-7(11)5-4(9)2-3-8-6(5)10/h9H,2-3H2,1H3,(H,8,10)
InChIKey
NDMGPGRIFWPYAS-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

171.05316 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 133.1
[M+Na]+ 194.042378 140.5
[M-H]- 170.045884 132.8
[M+NH4]+ 189.086983 150.8
[M+K]+ 210.016318 139.1
[M+H-H2O]+ 154.050420 127.5
[M+HCOO]- 216.051361 151.4
[M+CH3COO]- 230.067011 172.5
[M+Na-2H]- 192.027826 136.9
[M]+ 171.05261142 130.6
[M]- 171.05370858 130.6
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