CID 54682929

57513-54-9

Structural Information

Molecular Formula
C13H13NO4
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)O
InChI
InChI=1S/C13H13NO4/c1-3-18-13(17)10-11(15)8-6-4-5-7-9(8)14(2)12(10)16/h4-7,15H,3H2,1-2H3
InChIKey
IGIHLDXSSGANGR-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

126
Patents

247.08446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 151.2
[M+Na]+ 270.07368 161.7
[M-H]- 246.07718 154.1
[M+NH4]+ 265.11828 168.3
[M+K]+ 286.04762 158.7
[M+H-H2O]+ 230.08172 144.6
[M+HCOO]- 292.08266 171.7
[M+CH3COO]- 306.09831 192.6
[M+Na-2H]- 268.05913 156.3
[M]+ 247.08391 155.3
[M]- 247.08501 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe