CID 14381089

4-(4'-methyl-[2,2'-bipyridin]-4-yl)butanoic acid

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CC1=CC(=NC=C1)C2=NC=CC(=C2)CCCC(=O)O
InChI
InChI=1S/C15H16N2O2/c1-11-5-7-16-13(9-11)14-10-12(6-8-17-14)3-2-4-15(18)19/h5-10H,2-4H2,1H3,(H,18,19)
InChIKey
LFMPLEMXVCGLMX-UHFFFAOYSA-N
Compound name
4-[2-(4-methylpyridin-2-yl)pyridin-4-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

98
Patents

256.1212 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 159.3
[M+Na]+ 279.11042 166.8
[M-H]- 255.11392 162.0
[M+NH4]+ 274.15502 172.7
[M+K]+ 295.08436 162.4
[M+H-H2O]+ 239.11846 150.4
[M+HCOO]- 301.11940 178.8
[M+CH3COO]- 315.13505 194.2
[M+Na-2H]- 277.09587 163.9
[M]+ 256.12065 160.2
[M]- 256.12175 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe