CID 660772

4-pyrimidinamine, 2-((1-methylethyl)thio)-n,n,6-trimethyl-

Structural Information

Molecular Formula
C10H17N3S
SMILES
CC1=CC(=NC(=N1)SC(C)C)N(C)C
InChI
InChI=1S/C10H17N3S/c1-7(2)14-10-11-8(3)6-9(12-10)13(4)5/h6-7H,1-5H3
InChIKey
SVGPWEJFRMEERM-UHFFFAOYSA-N
Compound name
N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

211.11432 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.121596 146.3
[M+Na]+ 234.103538 154.5
[M-H]- 210.107044 149.2
[M+NH4]+ 229.148143 164.0
[M+K]+ 250.077478 152.7
[M+H-H2O]+ 194.111580 138.7
[M+HCOO]- 256.112521 163.1
[M+CH3COO]- 270.128171 194.9
[M+Na-2H]- 232.088986 147.9
[M]+ 211.11377142 150.4
[M]- 211.11486858 150.4
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

No patent data available for this compound.