CID 122235576

(2e)-3-(pyrazin-2-yl)but-2-enoic acid

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C/C(=C\C(=O)O)/C1=NC=CN=C1
InChI
InChI=1S/C8H8N2O2/c1-6(4-8(11)12)7-5-9-2-3-10-7/h2-5H,1H3,(H,11,12)/b6-4+
InChIKey
PWIXKAYTODDDDL-GQCTYLIASA-N
Compound name
(E)-3-pyrazin-2-ylbut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 133.3
[M+Na]+ 187.04780 140.9
[M-H]- 163.05130 132.9
[M+NH4]+ 182.09240 150.3
[M+K]+ 203.02174 138.8
[M+H-H2O]+ 147.05584 126.3
[M+HCOO]- 209.05678 153.0
[M+CH3COO]- 223.07243 174.4
[M+Na-2H]- 185.03325 139.3
[M]+ 164.05803 132.1
[M]- 164.05913 132.1
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.