CID 21218465

Methyl (2z)-3-(pyrazin-2-yl)but-2-enoate

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

6
Patents

178.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 137.3
[M+Na]+ 201.063448 144.9
[M-H]- 177.066954 138.2
[M+NH4]+ 196.108053 154.5
[M+K]+ 217.037388 143.6
[M+H-H2O]+ 161.071490 129.8
[M+HCOO]- 223.072431 158.2
[M+CH3COO]- 237.088081 179.3
[M+Na-2H]- 199.048896 143.3
[M]+ 178.07368142 138.3
[M]- 178.07477858 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