CID 14825888

3-cyano-4-phenylpyridine-2-carboxylic acid

Structural Information

Molecular Formula
C13H8N2O2
SMILES
C1=CC=C(C=C1)C2=C(C(=NC=C2)C(=O)O)C#N
InChI
InChI=1S/C13H8N2O2/c14-8-11-10(9-4-2-1-3-5-9)6-7-15-12(11)13(16)17/h1-7H,(H,16,17)
InChIKey
WTYDFXYNGZNGEK-UHFFFAOYSA-N
Compound name
3-cyano-4-phenylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.05858 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06586 152.0
[M+Na]+ 247.04780 162.3
[M-H]- 223.05130 155.0
[M+NH4]+ 242.09240 166.0
[M+K]+ 263.02174 157.0
[M+H-H2O]+ 207.05584 137.7
[M+HCOO]- 269.05678 169.7
[M+CH3COO]- 283.07243 198.3
[M+Na-2H]- 245.03325 156.5
[M]+ 224.05803 146.1
[M]- 224.05913 146.1
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.