CID 2784298

37929-27-4

Structural Information

Molecular Formula
C8H14N2S
SMILES
CC1=CC(NC(=S)N1C)(C)C
InChI
InChI=1S/C8H14N2S/c1-6-5-8(2,3)9-7(11)10(6)4/h5H,1-4H3,(H,9,11)
InChIKey
PJHIWWBQJWTETG-UHFFFAOYSA-N
Compound name
3,4,6,6-tetramethyl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08777 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09505 133.7
[M+Na]+ 193.07699 143.2
[M-H]- 169.08049 133.9
[M+NH4]+ 188.12159 154.1
[M+K]+ 209.05093 139.8
[M+H-H2O]+ 153.08503 128.7
[M+HCOO]- 215.08597 146.5
[M+CH3COO]- 229.10162 177.7
[M+Na-2H]- 191.06244 135.9
[M]+ 170.08722 132.6
[M]- 170.08832 132.6
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.