CID 453098

1,3-dimethyl-6-dimethoxymethyluracil

Structural Information

Molecular Formula
C9H14N2O4
SMILES
CN1C(=CC(=O)N(C1=O)C)C(OC)OC
InChI
InChI=1S/C9H14N2O4/c1-10-6(8(14-3)15-4)5-7(12)11(2)9(10)13/h5,8H,1-4H3
InChIKey
RTIAKKXZTFCBGR-UHFFFAOYSA-N
Compound name
6-(dimethoxymethyl)-1,3-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.09535 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10263 141.0
[M+Na]+ 237.08457 152.3
[M-H]- 213.08807 143.2
[M+NH4]+ 232.12917 157.9
[M+K]+ 253.05851 151.5
[M+H-H2O]+ 197.09261 134.1
[M+HCOO]- 259.09355 163.2
[M+CH3COO]- 273.10920 189.0
[M+Na-2H]- 235.07002 145.4
[M]+ 214.09480 147.3
[M]- 214.09590 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.