CID 3016917

5-amino-6-cyanopyrazin-2-yl acetate

Structural Information

Molecular Formula
C7H6N4O2
SMILES
CC(=O)OC1=CN=C(C(=N1)C#N)N
InChI
InChI=1S/C7H6N4O2/c1-4(12)13-6-3-10-7(9)5(2-8)11-6/h3H,1H3,(H2,9,10)
InChIKey
MGSUAOQQFDZKHY-UHFFFAOYSA-N
Compound name
(5-amino-6-cyanopyrazin-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

178.04907 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.056346 135.1
[M+Na]+ 201.038288 145.2
[M-H]- 177.041794 135.4
[M+NH4]+ 196.082893 150.0
[M+K]+ 217.012228 144.0
[M+H-H2O]+ 161.046330 120.9
[M+HCOO]- 223.047271 153.8
[M+CH3COO]- 237.062921 194.1
[M+Na-2H]- 199.023736 140.4
[M]+ 178.04852142 130.1
[M]- 178.04961858 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

patents stripe