CID 45082509

Methyl 5-cyanopyrazine-2-carboxylate

Structural Information

Molecular Formula
C7H5N3O2
SMILES
COC(=O)C1=NC=C(N=C1)C#N
InChI
InChI=1S/C7H5N3O2/c1-12-7(11)6-4-9-5(2-8)3-10-6/h3-4H,1H3
InChIKey
AEJBPQGVYKLSNF-UHFFFAOYSA-N
Compound name
methyl 5-cyanopyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.03818 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04546 129.3
[M+Na]+ 186.02740 139.7
[M-H]- 162.03090 129.9
[M+NH4]+ 181.07200 145.2
[M+K]+ 202.00134 138.5
[M+H-H2O]+ 146.03544 115.3
[M+HCOO]- 208.03638 147.8
[M+CH3COO]- 222.05203 189.1
[M+Na-2H]- 184.01285 136.2
[M]+ 163.03763 125.8
[M]- 163.03873 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.