CID 579196

N,n-dimethylpyrimidin-4-amine

Structural Information

Molecular Formula
C6H9N3
SMILES
CN(C)C1=NC=NC=C1
InChI
InChI=1S/C6H9N3/c1-9(2)6-3-4-7-5-8-6/h3-5H,1-2H3
InChIKey
MSXIOWULDXZJLX-UHFFFAOYSA-N
Compound name
N,N-dimethylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

789
Patents

123.07965 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 122.9
[M+Na]+ 146.06887 131.0
[M-H]- 122.07237 125.4
[M+NH4]+ 141.11347 142.9
[M+K]+ 162.04281 130.9
[M+H-H2O]+ 106.07691 115.4
[M+HCOO]- 168.07785 147.4
[M+CH3COO]- 182.09350 176.0
[M+Na-2H]- 144.05432 132.6
[M]+ 123.07910 123.3
[M]- 123.08020 123.3
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