CID 3057510

4(3)-pyridinecarboxylic acid, 3(4)-butylcarbamoyl-

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CCCCNC(=O)C1=C(N=CC=C1)C(=O)O
InChI
InChI=1S/C11H14N2O3/c1-2-3-6-13-10(14)8-5-4-7-12-9(8)11(15)16/h4-5,7H,2-3,6H2,1H3,(H,13,14)(H,15,16)
InChIKey
XRPGXQWZJXPJHN-UHFFFAOYSA-N
Compound name
3-(butylcarbamoyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 149.9
[M+Na]+ 245.08967 159.7
[M+NH4]+ 240.13427 155.5
[M+K]+ 261.06361 155.4
[M-H]- 221.09317 149.7
[M+Na-2H]- 243.07512 154.2
[M]+ 222.09990 150.8
[M]- 222.10100 150.8
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.