CID 11368138

2,4-di-tert-butyl-6-chloropyrimidine

Structural Information

Molecular Formula
C12H19ClN2
SMILES
CC(C)(C)C1=CC(=NC(=N1)C(C)(C)C)Cl
InChI
InChI=1S/C12H19ClN2/c1-11(2,3)8-7-9(13)15-10(14-8)12(4,5)6/h7H,1-6H3
InChIKey
ICZQYZYOGQBJNA-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-6-chloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

226.12367 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13095 154.6
[M+Na]+ 249.11289 168.4
[M+NH4]+ 244.15749 162.5
[M+K]+ 265.08683 162.0
[M-H]- 225.11639 155.1
[M+Na-2H]- 247.09834 161.0
[M]+ 226.12312 157.2
[M]- 226.12422 157.2
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