CID 55277139

4-(methylamino)pyrimidine-2-carbonitrile

Structural Information

Molecular Formula
C6H6N4
SMILES
CNC1=NC(=NC=C1)C#N
InChI
InChI=1S/C6H6N4/c1-8-5-2-3-9-6(4-7)10-5/h2-3H,1H3,(H,8,9,10)
InChIKey
HGSLSXDUNYZABF-UHFFFAOYSA-N
Compound name
4-(methylamino)pyrimidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.05925 Da
Monoisotopic Mass

0.6
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

No literature data available for this compound.

Patent stripe

patents stripe