CID 13021

2-amino-4,6-dimethyl pyrimidine

Structural Information

Molecular Formula
C6H9N3
SMILES
CC1=CC(=NC(=N1)N)C
InChI
InChI=1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
InChIKey
IDQNBVFPZMCDDN-UHFFFAOYSA-N
Compound name
4,6-dimethylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

34
References

2304
Patents

123.07965 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 123.8
[M+Na]+ 146.06887 133.8
[M-H]- 122.07237 125.1
[M+NH4]+ 141.11347 143.6
[M+K]+ 162.04281 131.9
[M+H-H2O]+ 106.07691 117.2
[M+HCOO]- 168.07785 147.2
[M+CH3COO]- 182.09350 174.0
[M+Na-2H]- 144.05432 131.6
[M]+ 123.07910 122.8
[M]- 123.08020 122.8
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

No patent data available for this compound.