CID 3306907

4-chloro-6-methyl-2-(propan-2-yl)pyrimidine

Structural Information

Molecular Formula
C8H11ClN2
SMILES
CC1=CC(=NC(=N1)C(C)C)Cl
InChI
InChI=1S/C8H11ClN2/c1-5(2)8-10-6(3)4-7(9)11-8/h4-5H,1-3H3
InChIKey
PJCDNTVCCXJUAC-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-2-propan-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

62
Patents

170.06108 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.068356 132.7
[M+Na]+ 193.050298 143.0
[M-H]- 169.053804 134.0
[M+NH4]+ 188.094903 151.9
[M+K]+ 209.024238 139.7
[M+H-H2O]+ 153.058340 126.6
[M+HCOO]- 215.059281 149.3
[M+CH3COO]- 229.074931 180.7
[M+Na-2H]- 191.035746 138.6
[M]+ 170.06053142 135.2
[M]- 170.06162858 135.2
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