CID 151560

Acetic acid, ((1,2,3,4-tetrahydro-2-oxo-5-quinolinyl)oxy)-

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1CC(=O)NC2=C1C(=CC=C2)OCC(=O)O
InChI
InChI=1S/C11H11NO4/c13-10-5-4-7-8(12-10)2-1-3-9(7)16-6-11(14)15/h1-3H,4-6H2,(H,12,13)(H,14,15)
InChIKey
CYPKANIKIWLVMF-UHFFFAOYSA-N
Compound name
2-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2476
Patents

221.0688 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.076076 145.2
[M+Na]+ 244.058018 152.0
[M-H]- 220.061524 145.3
[M+NH4]+ 239.102623 161.6
[M+K]+ 260.031958 148.9
[M+H-H2O]+ 204.066060 138.7
[M+HCOO]- 266.067001 161.9
[M+CH3COO]- 280.082651 183.0
[M+Na-2H]- 242.043466 150.2
[M]+ 221.06825142 143.0
[M]- 221.06934858 143.0
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.