CID 63611489

4,6-dichloro-2-methyl-5-propylpyrimidine

Structural Information

Molecular Formula
C8H10Cl2N2
SMILES
CCCC1=C(N=C(N=C1Cl)C)Cl
InChI
InChI=1S/C8H10Cl2N2/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3-4H2,1-2H3
InChIKey
AUUJPJCANVKAKR-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-methyl-5-propylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.02211 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.029386 138.2
[M+Na]+ 227.011328 149.8
[M-H]- 203.014834 138.7
[M+NH4]+ 222.055933 156.6
[M+K]+ 242.985268 144.7
[M+H-H2O]+ 187.019370 132.5
[M+HCOO]- 249.020311 150.5
[M+CH3COO]- 263.035961 185.7
[M+Na-2H]- 224.996776 143.6
[M]+ 204.02156142 142.4
[M]- 204.02265858 142.4
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

patents stripe