CID 20510270

5388-28-3

Structural Information

Molecular Formula
C6H6N4
SMILES
CNC1=NC=C(C=N1)C#N
InChI
InChI=1S/C6H6N4/c1-8-6-9-3-5(2-7)4-10-6/h3-4H,1H3,(H,8,9,10)
InChIKey
MCZXXEZSKWAWME-UHFFFAOYSA-N
Compound name
2-(methylamino)pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

134.05925 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06653 124.3
[M+Na]+ 157.04847 134.2
[M-H]- 133.05197 124.7
[M+NH4]+ 152.09307 141.0
[M+K]+ 173.02241 132.4
[M+H-H2O]+ 117.05651 110.2
[M+HCOO]- 179.05745 144.2
[M+CH3COO]- 193.07310 187.7
[M+Na-2H]- 155.03392 133.0
[M]+ 134.05870 118.4
[M]- 134.05980 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