CID 21897336

5-(2-propen-1-yloxy)-2-pyrazinecarboxylic acid

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C=CCOC1=NC=C(N=C1)C(=O)O
InChI
InChI=1S/C8H8N2O3/c1-2-3-13-7-5-9-6(4-10-7)8(11)12/h2,4-5H,1,3H2,(H,11,12)
InChIKey
YOIBXOWUEHVBBM-UHFFFAOYSA-N
Compound name
5-prop-2-enoxypyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

180.0535 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.060776 135.5
[M+Na]+ 203.042718 144.1
[M-H]- 179.046224 135.3
[M+NH4]+ 198.087323 152.1
[M+K]+ 219.016658 142.0
[M+H-H2O]+ 163.050760 128.4
[M+HCOO]- 225.051701 156.4
[M+CH3COO]- 239.067351 177.4
[M+Na-2H]- 201.028166 142.0
[M]+ 180.05295142 136.9
[M]- 180.05404858 136.9
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