CID 6454349

62124-77-0

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CCOC(=O)CC(=O)C1=NC=CN=C1
InChI
InChI=1S/C9H10N2O3/c1-2-14-9(13)5-8(12)7-6-10-3-4-11-7/h3-4,6H,2,5H2,1H3
InChIKey
OPBDMDPBJKVMNL-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-3-pyrazin-2-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

73
Patents

194.06914 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 139.9
[M+Na]+ 217.058358 147.4
[M-H]- 193.061864 140.7
[M+NH4]+ 212.102963 156.3
[M+K]+ 233.032298 146.5
[M+H-H2O]+ 177.066400 132.2
[M+HCOO]- 239.067341 161.0
[M+CH3COO]- 253.082991 182.0
[M+Na-2H]- 215.043806 145.9
[M]+ 194.06859142 142.4
[M]- 194.06968858 142.4
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

patents stripe