CID 57333549

1374411-85-4

Structural Information

Molecular Formula
C12H9NO4
SMILES
COC(=O)C1=CC2=C(C=C1)N=C(C=C2)C(=O)O
InChI
InChI=1S/C12H9NO4/c1-17-12(16)8-3-4-9-7(6-8)2-5-10(13-9)11(14)15/h2-6H,1H3,(H,14,15)
InChIKey
JIRLUOMEOOQWFJ-UHFFFAOYSA-N
Compound name
6-methoxycarbonylquinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05316 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06044 146.7
[M+Na]+ 254.04238 155.4
[M-H]- 230.04588 149.0
[M+NH4]+ 249.08698 163.6
[M+K]+ 270.01632 153.1
[M+H-H2O]+ 214.05042 139.9
[M+HCOO]- 276.05136 166.5
[M+CH3COO]- 290.06701 187.9
[M+Na-2H]- 252.02783 152.5
[M]+ 231.05261 148.9
[M]- 231.05371 148.9
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.