CID 215094

34928-02-4

Structural Information

Molecular Formula
C9H18N2OS
SMILES
CC1(CC(N(C(=N1)SC)C)(C)O)C
InChI
InChI=1S/C9H18N2OS/c1-8(2)6-9(3,12)11(4)7(10-8)13-5/h12H,6H2,1-5H3
InChIKey
ZTOGHNGGXFGZRE-UHFFFAOYSA-N
Compound name
3,4,6,6-tetramethyl-2-methylsulfanyl-5H-pyrimidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11398 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12126 145.1
[M+Na]+ 225.10320 156.5
[M+NH4]+ 220.14780 155.8
[M+K]+ 241.07714 145.5
[M-H]- 201.10670 145.7
[M+Na-2H]- 223.08865 151.9
[M]+ 202.11343 147.7
[M]- 202.11453 147.7
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.