CID 642670

1-(ethoxymethyl)pyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CCOCN1C=CC(=O)NC1=O
InChI
InChI=1S/C7H10N2O3/c1-2-12-5-9-4-3-6(10)8-7(9)11/h3-4H,2,5H2,1H3,(H,8,10,11)
InChIKey
UNRYGRHRRHNWHF-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

170.06914 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 131.4
[M+Na]+ 193.05836 141.6
[M-H]- 169.06186 131.6
[M+NH4]+ 188.10296 148.8
[M+K]+ 209.03230 139.3
[M+H-H2O]+ 153.06640 124.6
[M+HCOO]- 215.06734 153.5
[M+CH3COO]- 229.08299 174.9
[M+Na-2H]- 191.04381 138.8
[M]+ 170.06859 133.4
[M]- 170.06969 133.4
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

patents stripe