CID 207820

Quinoline, 1,2-dihydro-1-ethoxalyl-

Structural Information

Molecular Formula
C13H13NO3
SMILES
CCOC(=O)C(=O)N1CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H13NO3/c1-2-17-13(16)12(15)14-9-5-7-10-6-3-4-8-11(10)14/h3-8H,2,9H2,1H3
InChIKey
WTLJHBLVUSNPSV-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-(2H-quinolin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08954 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.096816 150.1
[M+Na]+ 254.078758 157.2
[M-H]- 230.082264 153.0
[M+NH4]+ 249.123363 167.7
[M+K]+ 270.052698 155.1
[M+H-H2O]+ 214.086800 142.9
[M+HCOO]- 276.087741 169.6
[M+CH3COO]- 290.103391 189.1
[M+Na-2H]- 252.064206 155.5
[M]+ 231.08899142 151.1
[M]- 231.09008858 151.1
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.