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]+ 206.08118 141.4
[M+Na]+ 228.06312 149.4
[M-H]- 204.06662 144.5
[M+NH4]+ 223.10772 160.2
[M+K]+ 244.03706 147.5
[M+H-H2O]+ 188.07116 134.6
[M+HCOO]- 250.07210 161.1
[M+CH3COO]- 264.08775 185.0
[M+Na-2H]- 226.04857 147.4
[M]+ 205.07335 141.5
[M]- 205.07445 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.