CID 21108864

6-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CN(C)CCCOC1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H16N2O3/c1-13(2)6-3-7-16-10-5-4-9(8-12-10)11(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKey
NKDLEGWODNIJAH-UHFFFAOYSA-N
Compound name
6-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

224.11609 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 149.9
[M+Na]+ 247.105308 156.1
[M-H]- 223.108814 152.0
[M+NH4]+ 242.149913 166.4
[M+K]+ 263.079248 155.5
[M+H-H2O]+ 207.113350 142.3
[M+HCOO]- 269.114291 172.4
[M+CH3COO]- 283.129941 192.9
[M+Na-2H]- 245.090756 154.3
[M]+ 224.11554142 153.0
[M]- 224.11663858 153.0
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