CID 299559

40227-17-6

Structural Information

Molecular Formula
C8H6N4
SMILES
CC1=C(N=C(C(=N1)C#N)C#N)C
InChI
InChI=1S/C8H6N4/c1-5-6(2)12-8(4-10)7(3-9)11-5/h1-2H3
InChIKey
VPRRXMCIOHZBCX-UHFFFAOYSA-N
Compound name
5,6-dimethylpyrazine-2,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

34
Patents

158.05925 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06653 140.5
[M+Na]+ 181.04847 150.9
[M-H]- 157.05197 141.8
[M+NH4]+ 176.09307 152.4
[M+K]+ 197.02241 148.8
[M+H-H2O]+ 141.05651 124.2
[M+HCOO]- 203.05745 151.9
[M+CH3COO]- 217.07310 213.1
[M+Na-2H]- 179.03392 143.8
[M]+ 158.05870 132.9
[M]- 158.05980 132.9
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