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 139.8
[M+Na]+ 225.10320 149.3
[M-H]- 201.10670 140.1
[M+NH4]+ 220.14780 161.1
[M+K]+ 241.07714 147.3
[M+H-H2O]+ 185.11124 135.5
[M+HCOO]- 247.11218 152.4
[M+CH3COO]- 261.12783 182.7
[M+Na-2H]- 223.08865 143.4
[M]+ 202.11343 141.7
[M]- 202.11453 141.7
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.