CID 3038336

4-hydroxy-3,4,6,6-tetramethyl-tetrahydro-2(1h)-pyrimidinethione

Structural Information

Molecular Formula
C8H16N2OS
SMILES
CC1(CC(N(C(=S)N1)C)(C)O)C
InChI
InChI=1S/C8H16N2OS/c1-7(2)5-8(3,11)10(4)6(12)9-7/h11H,5H2,1-4H3,(H,9,12)
InChIKey
PHZPZOCEZRPCMC-UHFFFAOYSA-N
Compound name
6-hydroxy-1,4,4,6-tetramethyl-1,3-diazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

188.09833 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10561 137.4
[M+Na]+ 211.08755 146.1
[M-H]- 187.09105 136.0
[M+NH4]+ 206.13215 158.2
[M+K]+ 227.06149 142.9
[M+H-H2O]+ 171.09559 133.7
[M+HCOO]- 233.09653 147.5
[M+CH3COO]- 247.11218 177.4
[M+Na-2H]- 209.07300 140.0
[M]+ 188.09778 135.0
[M]- 188.09888 135.0
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.