CID 5276908

1-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H12N2O4
SMILES
C1=CN(C(=O)NC1=O)CC=C(CO)CO
InChI
InChI=1S/C9H12N2O4/c12-5-7(6-13)1-3-11-4-2-8(14)10-9(11)15/h1-2,4,12-13H,3,5-6H2,(H,10,14,15)
InChIKey
NSLBMXWPFSHMDB-UHFFFAOYSA-N
Compound name
1-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

212.07971 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 144.0
[M+Na]+ 235.06893 152.4
[M-H]- 211.07243 141.3
[M+NH4]+ 230.11353 158.1
[M+K]+ 251.04287 148.3
[M+H-H2O]+ 195.07697 137.2
[M+HCOO]- 257.07791 161.8
[M+CH3COO]- 271.09356 177.7
[M+Na-2H]- 233.05438 148.1
[M]+ 212.07916 143.0
[M]- 212.08026 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.