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

0
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 146.2
[M+Na]+ 235.12394 154.1
[M-H]- 211.12744 145.9
[M+NH4]+ 230.16854 164.9
[M+K]+ 251.09788 150.5
[M+H-H2O]+ 195.13198 140.9
[M+HCOO]- 257.13292 157.0
[M+CH3COO]- 271.14857 187.6
[M+Na-2H]- 233.10939 146.0
[M]+ 212.13417 145.6
[M]- 212.13527 145.6
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.