CID 43269018

6-[ethyl(propyl)amino]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CCCN(CC)C1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H16N2O2/c1-3-7-13(4-2)10-6-5-9(8-12-10)11(14)15/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKey
BODZUNAZEAVNQF-UHFFFAOYSA-N
Compound name
6-[ethyl(propyl)amino]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.2
[M+Na]+ 231.11041 158.0
[M+NH4]+ 226.15501 154.0
[M+K]+ 247.08435 152.9
[M-H]- 207.11391 148.2
[M+Na-2H]- 229.09586 152.6
[M]+ 208.12064 148.7
[M]- 208.12174 148.7
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.