CID 11030057

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

Structural Information

Molecular Formula
C6H8N2O3
SMILES
C1=CN(C(=O)NC1=O)CCO
InChI
InChI=1S/C6H8N2O3/c9-4-3-8-2-1-5(10)7-6(8)11/h1-2,9H,3-4H2,(H,7,10,11)
InChIKey
WPOIKUYNYCMJLT-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

156.0535 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06078 127.9
[M+Na]+ 179.04272 138.0
[M-H]- 155.04622 126.9
[M+NH4]+ 174.08732 145.1
[M+K]+ 195.01666 135.0
[M+H-H2O]+ 139.05076 121.5
[M+HCOO]- 201.05170 148.8
[M+CH3COO]- 215.06735 169.3
[M+Na-2H]- 177.02817 135.2
[M]+ 156.05295 127.6
[M]- 156.05405 127.6
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