CID 23467190

5-(2-ethoxyethoxy)-2-pyridinecarboxylic acid

Structural Information

Molecular Formula
C10H13NO4
SMILES
CCOCCOC1=CN=C(C=C1)C(=O)O
InChI
InChI=1S/C10H13NO4/c1-2-14-5-6-15-8-3-4-9(10(12)13)11-7-8/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChIKey
DORQQUCEZJKKKZ-UHFFFAOYSA-N
Compound name
5-(2-ethoxyethoxy)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

211.08446 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.091736 144.2
[M+Na]+ 234.073678 151.5
[M-H]- 210.077184 145.1
[M+NH4]+ 229.118283 160.9
[M+K]+ 250.047618 150.3
[M+H-H2O]+ 194.081720 137.2
[M+HCOO]- 256.082661 165.7
[M+CH3COO]- 270.098311 183.6
[M+Na-2H]- 232.059126 149.6
[M]+ 211.08391142 147.9
[M]- 211.08500858 147.9
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

patents stripe