CID 3038413

2(1h)-pyrimidinethione, 3,4-dihydro-1-isobutyl-4,4,6-trimethyl-

Structural Information

Molecular Formula
C11H20N2S
SMILES
CC1=CC(NC(=S)N1CC(C)C)(C)C
InChI
InChI=1S/C11H20N2S/c1-8(2)7-13-9(3)6-11(4,5)12-10(13)14/h6,8H,7H2,1-5H3,(H,12,14)
InChIKey
FGDIHAZJJLRQBC-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-3-(2-methylpropyl)-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

212.13472 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14200 151.2
[M+Na]+ 235.12394 162.2
[M+NH4]+ 230.16854 160.3
[M+K]+ 251.09788 152.5
[M-H]- 211.12744 151.8
[M+Na-2H]- 233.10939 155.7
[M]+ 212.13417 153.5
[M]- 212.13527 153.5
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.