CID 12819275

3-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)oxy]propanoic acid

Structural Information

Molecular Formula
C12H13NO4
SMILES
C1CC(=O)NC2=C1C=C(C=C2)OCCC(=O)O
InChI
InChI=1S/C12H13NO4/c14-11-4-1-8-7-9(2-3-10(8)13-11)17-6-5-12(15)16/h2-3,7H,1,4-6H2,(H,13,14)(H,15,16)
InChIKey
BVFFQLRKJBXBKK-UHFFFAOYSA-N
Compound name
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

235.08446 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 149.7
[M+Na]+ 258.07368 156.2
[M-H]- 234.07718 149.7
[M+NH4]+ 253.11828 165.6
[M+K]+ 274.04762 152.8
[M+H-H2O]+ 218.08172 143.0
[M+HCOO]- 280.08266 166.1
[M+CH3COO]- 294.09831 186.0
[M+Na-2H]- 256.05913 154.3
[M]+ 235.08391 147.9
[M]- 235.08501 147.9
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