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]+ 212.09174 144.2
[M+Na]+ 234.07368 151.5
[M-H]- 210.07718 145.1
[M+NH4]+ 229.11828 160.9
[M+K]+ 250.04762 150.3
[M+H-H2O]+ 194.08172 137.2
[M+HCOO]- 256.08266 165.7
[M+CH3COO]- 270.09831 183.6
[M+Na-2H]- 232.05913 149.6
[M]+ 211.08391 147.9
[M]- 211.08501 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