CID 24845766

94785-10-1

Structural Information

Molecular Formula
C14H15NO3
SMILES
CC1=CC2=C(C=C1C)NC(=C(C2=O)CC(=O)O)C
InChI
InChI=1S/C14H15NO3/c1-7-4-11-12(5-8(7)2)15-9(3)10(14(11)18)6-13(16)17/h4-5H,6H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
MZFZNAYYZTWIEL-UHFFFAOYSA-N
Compound name
2-(2,6,7-trimethyl-4-oxo-1H-quinolin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1052 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 153.1
[M+Na]+ 268.09442 163.6
[M-H]- 244.09792 154.7
[M+NH4]+ 263.13902 169.8
[M+K]+ 284.06836 159.0
[M+H-H2O]+ 228.10246 147.0
[M+HCOO]- 290.10340 171.4
[M+CH3COO]- 304.11905 193.0
[M+Na-2H]- 266.07987 156.3
[M]+ 245.10465 154.7
[M]- 245.10575 154.7
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

No patent data available for this compound.