CID 22831615

6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H10N2O3
SMILES
COC1=CC=C(C=C1)C2=CC(=NC=N2)C(=O)O
InChI
InChI=1S/C12H10N2O3/c1-17-9-4-2-8(3-5-9)10-6-11(12(15)16)14-7-13-10/h2-7H,1H3,(H,15,16)
InChIKey
VWDUAMCLXCMAEK-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

230.06914 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.076416 148.6
[M+Na]+ 253.058358 157.3
[M-H]- 229.061864 151.9
[M+NH4]+ 248.102963 163.0
[M+K]+ 269.032298 154.2
[M+H-H2O]+ 213.066400 140.1
[M+HCOO]- 275.067341 169.3
[M+CH3COO]- 289.082991 187.3
[M+Na-2H]- 251.043806 154.8
[M]+ 230.06859142 149.8
[M]- 230.06968858 149.8
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

patents stripe