CID 445779

2,5-dimethylpyrimidin-4-amine

Structural Information

Molecular Formula
C6H9N3
SMILES
CC1=CN=C(N=C1N)C
InChI
InChI=1S/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3,(H2,7,8,9)
InChIKey
UXKNAXNFIYFMIB-UHFFFAOYSA-N
Compound name
2,5-dimethylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

270
Patents

123.07965 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 123.8
[M+Na]+ 146.068868 133.8
[M-H]- 122.072374 125.1
[M+NH4]+ 141.113473 143.6
[M+K]+ 162.042808 131.9
[M+H-H2O]+ 106.076910 117.2
[M+HCOO]- 168.077851 147.2
[M+CH3COO]- 182.093501 174.0
[M+Na-2H]- 144.054316 131.6
[M]+ 123.07910142 122.8
[M]- 123.08019858 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