CID 87768293

5-formylpyrazine-2-carboxamide

Structural Information

Molecular Formula
C6H5N3O2
SMILES
C1=C(N=CC(=N1)C(=O)N)C=O
InChI
InChI=1S/C6H5N3O2/c7-6(11)5-2-8-4(3-10)1-9-5/h1-3H,(H2,7,11)
InChIKey
PZIYKCYGMAJUGE-UHFFFAOYSA-N
Compound name
5-formylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

151.03818 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.04546 127.6
[M+Na]+ 174.02740 136.7
[M-H]- 150.03090 128.7
[M+NH4]+ 169.07200 145.5
[M+K]+ 190.00134 135.1
[M+H-H2O]+ 134.03544 120.4
[M+HCOO]- 196.03638 150.9
[M+CH3COO]- 210.05203 176.1
[M+Na-2H]- 172.01285 134.9
[M]+ 151.03763 126.9
[M]- 151.03873 126.9
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

patents stripe