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]+ 151.05020 128.7
[M+Na]+ 173.03214 137.0
[M-H]- 149.03564 128.3
[M+NH4]+ 168.07674 146.3
[M+K]+ 189.00608 134.6
[M+H-H2O]+ 133.04018 121.8
[M+HCOO]- 195.04112 149.7
[M+CH3COO]- 209.05677 170.4
[M+Na-2H]- 171.01759 136.4
[M]+ 150.04237 127.8
[M]- 150.04347 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

No patent data available for this compound.