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

8
Patents

151.03818 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.045456 127.6
[M+Na]+ 174.027398 136.7
[M-H]- 150.030904 128.7
[M+NH4]+ 169.072003 145.5
[M+K]+ 190.001338 135.1
[M+H-H2O]+ 134.035440 120.4
[M+HCOO]- 196.036381 150.9
[M+CH3COO]- 210.052031 176.1
[M+Na-2H]- 172.012846 134.9
[M]+ 151.03763142 126.9
[M]- 151.03872858 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