CID 46314645

6-amino-5-phenylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1=CC=C(C=C1)C2=C(N=CC(=C2)C(=O)O)N
InChI
InChI=1S/C12H10N2O2/c13-11-10(8-4-2-1-3-5-8)6-9(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)
InChIKey
DPGNSCQEQVBQOA-UHFFFAOYSA-N
Compound name
6-amino-5-phenylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.07423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 145.6
[M+Na]+ 237.06345 153.6
[M-H]- 213.06695 149.8
[M+NH4]+ 232.10805 161.5
[M+K]+ 253.03739 149.7
[M+H-H2O]+ 197.07149 137.9
[M+HCOO]- 259.07243 167.9
[M+CH3COO]- 273.08808 186.9
[M+Na-2H]- 235.04890 151.1
[M]+ 214.07368 143.2
[M]- 214.07478 143.2
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.