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

27
Patents

226.12367 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.130946 152.7
[M+Na]+ 249.112888 162.5
[M-H]- 225.116394 154.1
[M+NH4]+ 244.157493 170.1
[M+K]+ 265.086828 158.6
[M+H-H2O]+ 209.120930 146.9
[M+HCOO]- 271.121871 165.8
[M+CH3COO]- 285.137521 191.4
[M+Na-2H]- 247.098336 158.9
[M]+ 226.12312142 156.1
[M]- 226.12421858 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