CID 29996948

6-(3-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C13H11NO3
SMILES
CC1=CC(=CC=C1)C2=CC=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C13H11NO3/c1-8-3-2-4-9(7-8)11-6-5-10(13(16)17)12(15)14-11/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKey
BFUVPLKCVZCRES-UHFFFAOYSA-N
Compound name
6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

229.0739 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 148.0
[M+Na]+ 252.06312 157.1
[M-H]- 228.06662 151.5
[M+NH4]+ 247.10772 163.3
[M+K]+ 268.03706 152.5
[M+H-H2O]+ 212.07116 140.8
[M+HCOO]- 274.07210 168.4
[M+CH3COO]- 288.08775 185.6
[M+Na-2H]- 250.04857 152.4
[M]+ 229.07335 147.0
[M]- 229.07445 147.0
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