CID 115033800

2-hydroxy-6-(oxan-4-yl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C11H13NO4
SMILES
C1COCCC1C2=CC=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C11H13NO4/c13-10-8(11(14)15)1-2-9(12-10)7-3-5-16-6-4-7/h1-2,7H,3-6H2,(H,12,13)(H,14,15)
InChIKey
FKXUJZWNAXPJIX-UHFFFAOYSA-N
Compound name
6-(oxan-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 146.9
[M+Na]+ 246.073678 152.8
[M-H]- 222.077184 149.9
[M+NH4]+ 241.118283 160.6
[M+K]+ 262.047618 150.8
[M+H-H2O]+ 206.081720 139.6
[M+HCOO]- 268.082661 162.9
[M+CH3COO]- 282.098311 181.8
[M+Na-2H]- 244.059126 150.9
[M]+ 223.08391142 142.6
[M]- 223.08500858 142.6
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.