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]+ 260.09175 155.1
[M+Na]+ 282.07369 164.8
[M-H]- 258.07719 157.9
[M+NH4]+ 277.11829 171.5
[M+K]+ 298.04763 162.2
[M+H-H2O]+ 242.08173 148.5
[M+HCOO]- 304.08267 174.3
[M+CH3COO]- 318.09832 196.5
[M+Na-2H]- 280.05914 158.5
[M]+ 259.08392 158.9
[M]- 259.08502 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.