CID 12819282

2-((2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)oxy)acetic acid

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1CC(=O)NC2=C1C=C(C=C2)OCC(=O)O
InChI
InChI=1S/C11H11NO4/c13-10-4-1-7-5-8(16-6-11(14)15)2-3-9(7)12-10/h2-3,5H,1,4,6H2,(H,12,13)(H,14,15)
InChIKey
VYZHZRBXFADZJA-UHFFFAOYSA-N
Compound name
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

221.0688 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 145.2
[M+Na]+ 244.05802 152.0
[M-H]- 220.06152 145.3
[M+NH4]+ 239.10262 161.6
[M+K]+ 260.03196 148.9
[M+H-H2O]+ 204.06606 138.7
[M+HCOO]- 266.06700 161.9
[M+CH3COO]- 280.08265 183.0
[M+Na-2H]- 242.04347 150.2
[M]+ 221.06825 143.0
[M]- 221.06935 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

patents stripe