CID 3056033

73322-11-9

Structural Information

Molecular Formula
C8H16N2OS
SMILES
CC1(CC(N=C(N1)SC)(C)O)C
InChI
InChI=1S/C8H16N2OS/c1-7(2)5-8(3,11)10-6(9-7)12-4/h11H,5H2,1-4H3,(H,9,10)
InChIKey
AJWLIUIVUGBUQK-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-2-methylsulfanyl-1,5-dihydropyrimidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09833 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10561 140.9
[M+Na]+ 211.08755 151.6
[M+NH4]+ 206.13215 151.4
[M+K]+ 227.06149 141.0
[M-H]- 187.09105 141.0
[M+Na-2H]- 209.07300 147.6
[M]+ 188.09778 143.1
[M]- 188.09888 143.1
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.