CID 817699

3-aminopyrazine-2-carbonitrile

Structural Information

Molecular Formula
C5H4N4
SMILES
C1=CN=C(C(=N1)C#N)N
InChI
InChI=1S/C5H4N4/c6-3-4-5(7)9-2-1-8-4/h1-2H,(H2,7,9)
InChIKey
GPIZLEHIVRHDAW-UHFFFAOYSA-N
Compound name
3-aminopyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

120.043594 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.050870 121.1
[M+Na]+ 143.032812 131.4
[M-H]- 119.036318 121.2
[M+NH4]+ 138.077417 138.1
[M+K]+ 159.006752 129.6
[M+H-H2O]+ 103.040854 107.3
[M+HCOO]- 165.041795 140.8
[M+CH3COO]- 179.057445 184.4
[M+Na-2H]- 141.018260 129.3
[M]+ 120.04304542 114.0
[M]- 120.04414258 114.0
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

patents stripe