CID 713744

4-amino-6-(tert-butyl)pyrimidine

Structural Information

Molecular Formula
C8H13N3
SMILES
CC(C)(C)C1=CC(=NC=N1)N
InChI
InChI=1S/C8H13N3/c1-8(2,3)6-4-7(9)11-5-10-6/h4-5H,1-3H3,(H2,9,10,11)
InChIKey
GVFMWHPJTZVYIF-UHFFFAOYSA-N
Compound name
6-tert-butylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

125
Patents

151.11095 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.118226 134.0
[M+Na]+ 174.100168 142.7
[M-H]- 150.103674 135.0
[M+NH4]+ 169.144773 152.6
[M+K]+ 190.074108 140.7
[M+H-H2O]+ 134.108210 127.4
[M+HCOO]- 196.109151 155.2
[M+CH3COO]- 210.124801 178.6
[M+Na-2H]- 172.085616 142.1
[M]+ 151.11040142 132.7
[M]- 151.11149858 132.7
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