CID 5898624

Nsc217906

Structural Information

Molecular Formula
C9H8N4O
SMILES
C1=CN=C2C(=N1)C(=CN2)/C=C/C(=O)N
InChI
InChI=1S/C9H8N4O/c10-7(14)2-1-6-5-13-9-8(6)11-3-4-12-9/h1-5H,(H2,10,14)(H,12,13)/b2-1+
InChIKey
YSOUJGPFYLDVIC-OWOJBTEDSA-N
Compound name
(E)-3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06981 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07709 138.6
[M+Na]+ 211.05903 148.5
[M-H]- 187.06253 138.1
[M+NH4]+ 206.10363 156.0
[M+K]+ 227.03297 143.8
[M+H-H2O]+ 171.06707 130.8
[M+HCOO]- 233.06801 159.9
[M+CH3COO]- 247.08366 151.0
[M+Na-2H]- 209.04448 145.5
[M]+ 188.06926 137.3
[M]- 188.07036 137.3
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.