CID 12464023

68882-86-0

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC(=O)C1=CC2=C(C=C1)NC(=O)C=C2
InChI
InChI=1S/C11H9NO3/c1-15-11(14)8-2-4-9-7(6-8)3-5-10(13)12-9/h2-6H,1H3,(H,12,13)
InChIKey
TXNYDEDEWIEXSZ-UHFFFAOYSA-N
Compound name
methyl 2-oxo-1H-quinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

203.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 139.6
[M+Na]+ 226.047458 149.2
[M-H]- 202.050964 142.1
[M+NH4]+ 221.092063 157.9
[M+K]+ 242.021398 146.0
[M+H-H2O]+ 186.055500 133.1
[M+HCOO]- 248.056441 160.6
[M+CH3COO]- 262.072091 181.9
[M+Na-2H]- 224.032906 147.1
[M]+ 203.05769142 140.7
[M]- 203.05878858 140.7
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