CID 3440137

67490-21-5

Structural Information

Molecular Formula
C16H28N2
SMILES
CC(C)(C)C1=CC(=NC(=N1)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C16H28N2/c1-14(2,3)11-10-12(15(4,5)6)18-13(17-11)16(7,8)9/h10H,1-9H3
InChIKey
VYWSYEDVFVGRGG-UHFFFAOYSA-N
Compound name
2,4,6-tritert-butylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

186
Patents

248.22525 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.23253 163.5
[M+Na]+ 271.21447 171.6
[M-H]- 247.21797 165.0
[M+NH4]+ 266.25907 179.6
[M+K]+ 287.18841 169.2
[M+H-H2O]+ 231.22251 157.5
[M+HCOO]- 293.22345 178.5
[M+CH3COO]- 307.23910 199.6
[M+Na-2H]- 269.19992 169.3
[M]+ 248.22470 166.1
[M]- 248.22580 166.2
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