CID 215096

34928-03-5

Structural Information

Molecular Formula
C9H18N2OS
SMILES
CCSC1=NC(CC(N1)(C)C)(C)O
InChI
InChI=1S/C9H18N2OS/c1-5-13-7-10-8(2,3)6-9(4,12)11-7/h12H,5-6H2,1-4H3,(H,10,11)
InChIKey
IBDNQOIGAAKCQV-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-4,6,6-trimethyl-1,5-dihydropyrimidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11398 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12126 142.0
[M+Na]+ 225.10320 150.2
[M-H]- 201.10670 140.5
[M+NH4]+ 220.14780 162.2
[M+K]+ 241.07714 147.1
[M+H-H2O]+ 185.11124 137.6
[M+HCOO]- 247.11218 153.1
[M+CH3COO]- 261.12783 179.0
[M+Na-2H]- 223.08865 145.7
[M]+ 202.11343 141.6
[M]- 202.11453 141.6
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.