CID 391481

5-amino-2-(pyrazin-2-yl)oxazole-4-carbonitrile

Structural Information

Molecular Formula
C8H5N5O
SMILES
C1=CN=C(C=N1)C2=NC(=C(O2)N)C#N
InChI
InChI=1S/C8H5N5O/c9-3-5-7(10)14-8(13-5)6-4-11-1-2-12-6/h1-2,4H,10H2
InChIKey
KREXZPSKNFVUNB-UHFFFAOYSA-N
Compound name
5-amino-2-pyrazin-2-yl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04941 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05669 135.6
[M+Na]+ 210.03863 146.6
[M-H]- 186.04213 137.1
[M+NH4]+ 205.08323 148.9
[M+K]+ 226.01257 144.1
[M+H-H2O]+ 170.04667 119.3
[M+HCOO]- 232.04761 154.1
[M+CH3COO]- 246.06326 146.9
[M+Na-2H]- 208.02408 141.9
[M]+ 187.04886 130.1
[M]- 187.04996 130.1
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.