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

22
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 152.7
[M+Na]+ 249.11289 162.5
[M-H]- 225.11639 154.1
[M+NH4]+ 244.15749 170.1
[M+K]+ 265.08683 158.6
[M+H-H2O]+ 209.12093 146.9
[M+HCOO]- 271.12187 165.8
[M+CH3COO]- 285.13752 191.4
[M+Na-2H]- 247.09834 158.9
[M]+ 226.12312 156.1
[M]- 226.12422 156.1
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