CID 12819315

58899-27-7

Structural Information

Molecular Formula
C13H15NO4
SMILES
C1CC(=O)NC2=C1C=CC(=C2)OCCCC(=O)O
InChI
InChI=1S/C13H15NO4/c15-12-6-4-9-3-5-10(8-11(9)14-12)18-7-1-2-13(16)17/h3,5,8H,1-2,4,6-7H2,(H,14,15)(H,16,17)
InChIKey
JLLAHJYNQOJXOM-UHFFFAOYSA-N
Compound name
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

249.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 154.3
[M+Na]+ 272.08933 160.3
[M-H]- 248.09283 154.1
[M+NH4]+ 267.13393 169.5
[M+K]+ 288.06327 156.7
[M+H-H2O]+ 232.09737 147.4
[M+HCOO]- 294.09831 170.3
[M+CH3COO]- 308.11396 189.0
[M+Na-2H]- 270.07478 158.3
[M]+ 249.09956 152.8
[M]- 249.10066 152.8
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