CID 15521950

375386-65-5

Structural Information

Molecular Formula
C11H11NO3
SMILES
COC(=O)C1CCC2=C(C1=O)C=CC=N2
InChI
InChI=1S/C11H11NO3/c1-15-11(14)8-4-5-9-7(10(8)13)3-2-6-12-9/h2-3,6,8H,4-5H2,1H3
InChIKey
YIXJAXKMSZDQGI-UHFFFAOYSA-N
Compound name
methyl 5-oxo-7,8-dihydro-6H-quinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 141.4
[M+Na]+ 228.063118 149.4
[M-H]- 204.066624 144.5
[M+NH4]+ 223.107723 160.2
[M+K]+ 244.037058 147.5
[M+H-H2O]+ 188.071160 134.6
[M+HCOO]- 250.072101 161.1
[M+CH3COO]- 264.087751 185.0
[M+Na-2H]- 226.048566 147.4
[M]+ 205.07335142 141.5
[M]- 205.07444858 141.5
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.