CID 3056037

73322-13-1

Structural Information

Molecular Formula
C11H22N2OS
SMILES
CCCN1C(=NC(CC1(C)O)(C)C)SC
InChI
InChI=1S/C11H22N2OS/c1-6-7-13-9(15-5)12-10(2,3)8-11(13,4)14/h14H,6-8H2,1-5H3
InChIKey
HFZSOFIBOXVXHP-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-2-methylsulfanyl-3-propyl-5H-pyrimidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.14528 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.15256 153.6
[M+Na]+ 253.13450 164.5
[M+NH4]+ 248.17910 163.9
[M+K]+ 269.10844 153.1
[M-H]- 229.13800 154.0
[M+Na-2H]- 251.11995 159.9
[M]+ 230.14473 156.0
[M]- 230.14583 156.0
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.