CID 3053133

69552-20-1

Structural Information

Molecular Formula
C14H13NO4
SMILES
CC1=CC2=C(C=C1C)N=C(C=C2C(=O)O)OC(=O)C
InChI
InChI=1S/C14H13NO4/c1-7-4-10-11(14(17)18)6-13(19-9(3)16)15-12(10)5-8(7)2/h4-6H,1-3H3,(H,17,18)
InChIKey
BROMXBJIVUUARU-UHFFFAOYSA-N
Compound name
2-acetyloxy-6,7-dimethylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.08447 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.091746 155.1
[M+Na]+ 282.073688 164.8
[M-H]- 258.077194 157.9
[M+NH4]+ 277.118293 171.5
[M+K]+ 298.047628 162.2
[M+H-H2O]+ 242.081730 148.5
[M+HCOO]- 304.082671 174.3
[M+CH3COO]- 318.098321 196.5
[M+Na-2H]- 280.059136 158.5
[M]+ 259.08392142 158.9
[M]- 259.08501858 158.9
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.