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

179
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 166.1
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

No patent data available for this compound.