CID 470925

Ethyl 3-(pyrazine-2-carbonylamino)propanoate

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CCOC(=O)CCNC(=O)C1=NC=CN=C1
InChI
InChI=1S/C10H13N3O3/c1-2-16-9(14)3-4-13-10(15)8-7-11-5-6-12-8/h5-7H,2-4H2,1H3,(H,13,15)
InChIKey
OMLRTQIQIJYDIB-UHFFFAOYSA-N
Compound name
ethyl 3-(pyrazine-2-carbonylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 148.9
[M+Na]+ 246.08491 155.0
[M-H]- 222.08841 149.5
[M+NH4]+ 241.12951 163.8
[M+K]+ 262.05885 153.8
[M+H-H2O]+ 206.09295 140.5
[M+HCOO]- 268.09389 170.7
[M+CH3COO]- 282.10954 189.3
[M+Na-2H]- 244.07036 154.7
[M]+ 223.09514 150.9
[M]- 223.09624 150.9
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.