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

7
Patents

235.08446 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.091736 149.7
[M+Na]+ 258.073678 156.2
[M-H]- 234.077184 149.7
[M+NH4]+ 253.118283 165.6
[M+K]+ 274.047618 152.8
[M+H-H2O]+ 218.081720 143.0
[M+HCOO]- 280.082661 166.1
[M+CH3COO]- 294.098311 186.0
[M+Na-2H]- 256.059126 154.3
[M]+ 235.08391142 147.9
[M]- 235.08500858 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