CID 2802244

20551-25-1

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CC1=CC(=O)N(C(=O)N1)CCO
InChI
InChI=1S/C7H10N2O3/c1-5-4-6(11)9(2-3-10)7(12)8-5/h4,10H,2-3H2,1H3,(H,8,12)
InChIKey
VHGMHVADTAQGSE-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-6-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

170.06914 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 132.2
[M+Na]+ 193.05836 142.9
[M-H]- 169.06186 131.4
[M+NH4]+ 188.10296 149.2
[M+K]+ 209.03230 139.7
[M+H-H2O]+ 153.06640 125.9
[M+HCOO]- 215.06734 152.8
[M+CH3COO]- 229.08299 173.6
[M+Na-2H]- 191.04381 138.3
[M]+ 170.06859 132.7
[M]- 170.06969 132.7
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