CID 13021

2-amino-4,6-dimethylpyrimidine

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

2342
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

literature stripe

Patent stripe

patents stripe