CID 3025150

Pyrimidine, 4-amino-6-chloro-2-methyl-5-propyl-

Structural Information

Molecular Formula
C8H12ClN3
SMILES
CCCC1=C(N=C(N=C1Cl)C)N
InChI
InChI=1S/C8H12ClN3/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3-4H2,1-2H3,(H2,10,11,12)
InChIKey
SXQMJEPZOPQUMZ-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-5-propylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.07198 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07926 137.8
[M+Na]+ 208.06120 151.9
[M+NH4]+ 203.10580 146.1
[M+K]+ 224.03514 144.9
[M-H]- 184.06470 139.8
[M+Na-2H]- 206.04665 144.6
[M]+ 185.07143 140.6
[M]- 185.07253 140.6
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.