CID 21218465

Schembl8779937

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C/C(=C/C(=O)OC)/C1=NC=CN=C1
InChI
InChI=1S/C9H10N2O2/c1-7(5-9(12)13-2)8-6-10-3-4-11-8/h3-6H,1-2H3/b7-5-
InChIKey
JRRQHUHMHJGOCJ-ALCCZGGFSA-N
Compound name
methyl (Z)-3-pyrazin-2-ylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 137.3
[M+Na]+ 201.06345 144.9
[M-H]- 177.06695 138.2
[M+NH4]+ 196.10805 154.5
[M+K]+ 217.03739 143.6
[M+H-H2O]+ 161.07149 129.8
[M+HCOO]- 223.07243 158.2
[M+CH3COO]- 237.08808 179.3
[M+Na-2H]- 199.04890 143.3
[M]+ 178.07368 138.3
[M]- 178.07478 138.3
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