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 137.9
[M+Na]+ 211.08755 146.5
[M-H]- 187.09105 136.5
[M+NH4]+ 206.13215 158.6
[M+K]+ 227.06149 143.7
[M+H-H2O]+ 171.09559 133.6
[M+HCOO]- 233.09653 149.3
[M+CH3COO]- 247.11218 176.0
[M+Na-2H]- 209.07300 142.0
[M]+ 188.09778 137.1
[M]- 188.09888 137.1
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.