CID 304612

32932-14-2

Structural Information

Molecular Formula
C13H13NO4
SMILES
CCN1C=C(C(=O)C2=C1C(=CC=C2)OC)C(=O)O
InChI
InChI=1S/C13H13NO4/c1-3-14-7-9(13(16)17)12(15)8-5-4-6-10(18-2)11(8)14/h4-7H,3H2,1-2H3,(H,16,17)
InChIKey
CIAVNLVPVOWGGX-UHFFFAOYSA-N
Compound name
1-ethyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 151.0
[M+Na]+ 270.07368 161.3
[M-H]- 246.07718 153.8
[M+NH4]+ 265.11828 167.9
[M+K]+ 286.04762 158.4
[M+H-H2O]+ 230.08172 144.3
[M+HCOO]- 292.08266 171.4
[M+CH3COO]- 306.09831 193.3
[M+Na-2H]- 268.05913 156.0
[M]+ 247.08391 155.1
[M]- 247.08501 155.1
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

No patent data available for this compound.