CID 155820925

Methyl 3-ethynylpyrazine-2-carboxylate

Structural Information

Molecular Formula
C8H6N2O2
SMILES
COC(=O)C1=NC=CN=C1C#C
InChI
InChI=1S/C8H6N2O2/c1-3-6-7(8(11)12-2)10-5-4-9-6/h1,4-5H,2H3
InChIKey
XEIRYNCTVJVCDM-UHFFFAOYSA-N
Compound name
methyl 3-ethynylpyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.04292 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.050196 129.8
[M+Na]+ 185.032138 140.4
[M-H]- 161.035644 129.1
[M+NH4]+ 180.076743 145.5
[M+K]+ 201.006078 138.0
[M+H-H2O]+ 145.040180 116.3
[M+HCOO]- 207.041121 145.8
[M+CH3COO]- 221.056771 185.1
[M+Na-2H]- 183.017586 135.6
[M]+ 162.04237142 125.6
[M]- 162.04346858 125.6
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.