CID 8983

147-61-5

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CC1=C(C(=O)NC(=O)N1)CO
InChI
InChI=1S/C6H8N2O3/c1-3-4(2-9)5(10)8-6(11)7-3/h9H,2H2,1H3,(H2,7,8,10,11)
InChIKey
XBAVGYMDOXCWQU-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

184
References

1485
Patents

156.0535 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.060776 128.8
[M+Na]+ 179.042718 139.5
[M-H]- 155.046224 126.8
[M+NH4]+ 174.087323 145.7
[M+K]+ 195.016658 135.6
[M+H-H2O]+ 139.050760 123.0
[M+HCOO]- 201.051701 148.2
[M+CH3COO]- 215.067351 168.2
[M+Na-2H]- 177.028166 134.8
[M]+ 156.05295142 127.1
[M]- 156.05404858 127.1
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