CID 5370803

5h-pyrrolo[2,3-b]pyrazine

Structural Information

Molecular Formula
C6H5N3
SMILES
C1=CNC2=NC=CN=C21
InChI
InChI=1S/C6H5N3/c1-2-8-6-5(1)7-3-4-9-6/h1-4H,(H,8,9)
InChIKey
HFTVJMFWJUFBNO-UHFFFAOYSA-N
Compound name
5H-pyrrolo[2,3-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4430
Patents

119.04835 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.05563 119.3
[M+Na]+ 142.03757 133.5
[M+NH4]+ 137.08217 128.2
[M+K]+ 158.01151 128.7
[M-H]- 118.04107 120.1
[M+Na-2H]- 140.02302 127.4
[M]+ 119.04780 121.4
[M]- 119.04890 121.4
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

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