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]+ 232.09682 150.1
[M+Na]+ 254.07876 157.2
[M-H]- 230.08226 153.0
[M+NH4]+ 249.12336 167.7
[M+K]+ 270.05270 155.1
[M+H-H2O]+ 214.08680 142.9
[M+HCOO]- 276.08774 169.6
[M+CH3COO]- 290.10339 189.1
[M+Na-2H]- 252.06421 155.5
[M]+ 231.08899 151.1
[M]- 231.09009 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.