CID 5382194

4-pyrimidineacrylic acid

Structural Information

Molecular Formula
C7H6N2O2
SMILES
C1=CN=CN=C1/C=C/C(=O)O
InChI
InChI=1S/C7H6N2O2/c10-7(11)2-1-6-3-4-8-5-9-6/h1-5H,(H,10,11)/b2-1+
InChIKey
PPMHSAQFDNOZAL-OWOJBTEDSA-N
Compound name
(E)-3-pyrimidin-4-ylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

150.04292 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.050196 128.7
[M+Na]+ 173.032138 137.0
[M-H]- 149.035644 128.3
[M+NH4]+ 168.076743 146.3
[M+K]+ 189.006078 134.6
[M+H-H2O]+ 133.040180 121.8
[M+HCOO]- 195.041121 149.7
[M+CH3COO]- 209.056771 170.4
[M+Na-2H]- 171.017586 136.4
[M]+ 150.04237142 127.8
[M]- 150.04346858 127.8
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