CID 470932

2-oxo-2-pyrazin-2-ylethyl acetate

Structural Information

Molecular Formula
C8H8N2O3
SMILES
CC(=O)OCC(=O)C1=NC=CN=C1
InChI
InChI=1S/C8H8N2O3/c1-6(11)13-5-8(12)7-4-9-2-3-10-7/h2-4H,5H2,1H3
InChIKey
QXQOXBHRDHYDPT-UHFFFAOYSA-N
Compound name
(2-oxo-2-pyrazin-2-ylethyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0535 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 135.3
[M+Na]+ 203.04272 143.2
[M-H]- 179.04622 136.3
[M+NH4]+ 198.08732 152.3
[M+K]+ 219.01666 142.5
[M+H-H2O]+ 163.05076 127.8
[M+HCOO]- 225.05170 156.7
[M+CH3COO]- 239.06735 179.0
[M+Na-2H]- 201.02817 141.8
[M]+ 180.05295 137.4
[M]- 180.05405 137.4
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.