CID 2793863

4-amino-5-cyano-2,6-dimethylpyrimidine

Structural Information

Molecular Formula
C7H8N4
SMILES
CC1=C(C(=NC(=N1)C)N)C#N
InChI
InChI=1S/C7H8N4/c1-4-6(3-8)7(9)11-5(2)10-4/h1-2H3,(H2,9,10,11)
InChIKey
CEXUMRPXQINZGM-UHFFFAOYSA-N
Compound name
4-amino-2,6-dimethylpyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

148.07489 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 129.3
[M+Na]+ 171.064108 140.4
[M-H]- 147.067614 129.9
[M+NH4]+ 166.108713 145.9
[M+K]+ 187.038048 138.4
[M+H-H2O]+ 131.072150 115.7
[M+HCOO]- 193.073091 148.4
[M+CH3COO]- 207.088741 191.9
[M+Na-2H]- 169.049556 135.2
[M]+ 148.07434142 123.5
[M]- 148.07543858 123.5
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