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 148.3
[M+Na]+ 253.13450 156.9
[M-H]- 229.13800 148.1
[M+NH4]+ 248.17910 168.4
[M+K]+ 269.10844 154.3
[M+H-H2O]+ 213.14254 143.5
[M+HCOO]- 275.14348 160.2
[M+CH3COO]- 289.15913 188.7
[M+Na-2H]- 251.11995 150.9
[M]+ 230.14473 150.8
[M]- 230.14583 150.8
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.