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]+ 171.095046 133.7
[M+Na]+ 193.076988 143.2
[M-H]- 169.080494 133.9
[M+NH4]+ 188.121593 154.1
[M+K]+ 209.050928 139.8
[M+H-H2O]+ 153.085030 128.7
[M+HCOO]- 215.085971 146.5
[M+CH3COO]- 229.101621 177.7
[M+Na-2H]- 191.062436 135.9
[M]+ 170.08722142 132.6
[M]- 170.08831858 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.