CID 25672013

5-(ethoxycarbonyl)-6-methylpyridine-2-carboxylic acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
CCOC(=O)C1=C(N=C(C=C1)C(=O)O)C
InChI
InChI=1S/C10H11NO4/c1-3-15-10(14)7-4-5-8(9(12)13)11-6(7)2/h4-5H,3H2,1-2H3,(H,12,13)
InChIKey
AEIKVEPDWZNINS-UHFFFAOYSA-N
Compound name
5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

209.0688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 144.1
[M+Na]+ 232.05802 155.3
[M+NH4]+ 227.10262 149.8
[M+K]+ 248.03196 151.6
[M-H]- 208.06152 143.2
[M+Na-2H]- 230.04347 148.3
[M]+ 209.06825 145.1
[M]- 209.06935 145.1
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