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

10
Patents

180.0535 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 135.5
[M+Na]+ 203.04272 144.1
[M-H]- 179.04622 135.3
[M+NH4]+ 198.08732 152.1
[M+K]+ 219.01666 142.0
[M+H-H2O]+ 163.05076 128.4
[M+HCOO]- 225.05170 156.4
[M+CH3COO]- 239.06735 177.4
[M+Na-2H]- 201.02817 142.0
[M]+ 180.05295 136.9
[M]- 180.05405 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