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]+ 163.05020 129.8
[M+Na]+ 185.03214 140.4
[M-H]- 161.03564 129.1
[M+NH4]+ 180.07674 145.5
[M+K]+ 201.00608 138.0
[M+H-H2O]+ 145.04018 116.3
[M+HCOO]- 207.04112 145.8
[M+CH3COO]- 221.05677 185.1
[M+Na-2H]- 183.01759 135.6
[M]+ 162.04237 125.6
[M]- 162.04347 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.