CID 3056047

2-methylthio-4,6,6-trimethyl-3,6-dihydro-3-pyrimidineacetic acid hydriodide

Structural Information

Molecular Formula
C10H16N2O2S
SMILES
CC1=CC(N=C(N1CC(=O)O)SC)(C)C
InChI
InChI=1S/C10H16N2O2S/c1-7-5-10(2,3)11-9(15-4)12(7)6-8(13)14/h5H,6H2,1-4H3,(H,13,14)
InChIKey
BZZBWRPZXRPUNN-UHFFFAOYSA-N
Compound name
2-(4,4,6-trimethyl-2-methylsulfanylpyrimidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09325 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10053 152.1
[M+Na]+ 251.08247 163.3
[M+NH4]+ 246.12707 160.2
[M+K]+ 267.05641 154.6
[M-H]- 227.08597 151.8
[M+Na-2H]- 249.06792 156.9
[M]+ 228.09270 154.1
[M]- 228.09380 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.