CID 62749366

2-(pyridin-2-yl)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C10H7N3O2
SMILES
C1=CC=NC(=C1)C2=NC=CC(=N2)C(=O)O
InChI
InChI=1S/C10H7N3O2/c14-10(15)8-4-6-12-9(13-8)7-3-1-2-5-11-7/h1-6H,(H,14,15)
InChIKey
VZBROCOXUAOFMU-UHFFFAOYSA-N
Compound name
2-pyridin-2-ylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

201.05383 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06111 141.4
[M+Na]+ 224.04305 150.2
[M-H]- 200.04655 143.1
[M+NH4]+ 219.08765 155.3
[M+K]+ 240.01699 146.6
[M+H-H2O]+ 184.05109 132.4
[M+HCOO]- 246.05203 161.2
[M+CH3COO]- 260.06768 181.0
[M+Na-2H]- 222.02850 149.5
[M]+ 201.05328 140.6
[M]- 201.05438 140.6
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