CID 821140

3-(methylamino)pyrazine-2-carbonitrile

Structural Information

Molecular Formula
C6H6N4
SMILES
CNC1=NC=CN=C1C#N
InChI
InChI=1S/C6H6N4/c1-8-6-5(4-7)9-2-3-10-6/h2-3H,1H3,(H,8,10)
InChIKey
UZALWJYZYLTEMI-UHFFFAOYSA-N
Compound name
3-(methylamino)pyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

134.05925 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.066526 124.3
[M+Na]+ 157.048468 134.2
[M-H]- 133.051974 124.7
[M+NH4]+ 152.093073 141.0
[M+K]+ 173.022408 132.4
[M+H-H2O]+ 117.056510 110.2
[M+HCOO]- 179.057451 144.2
[M+CH3COO]- 193.073101 187.7
[M+Na-2H]- 155.033916 133.0
[M]+ 134.05870142 118.4
[M]- 134.05979858 118.4
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

patents stripe