CID 5276914

4-amino-1-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]pyrimidin-2-one

Structural Information

Molecular Formula
C9H13N3O3
SMILES
C1=CN(C(=O)N=C1N)CC=C(CO)CO
InChI
InChI=1S/C9H13N3O3/c10-8-2-4-12(9(15)11-8)3-1-7(5-13)6-14/h1-2,4,13-14H,3,5-6H2,(H2,10,11,15)
InChIKey
HIKHIFHDZLMIOH-UHFFFAOYSA-N
Compound name
4-amino-1-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

211.09569 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.102966 146.1
[M+Na]+ 234.084908 153.8
[M-H]- 210.088414 144.2
[M+NH4]+ 229.129513 160.4
[M+K]+ 250.058848 150.3
[M+H-H2O]+ 194.092950 138.8
[M+HCOO]- 256.093891 165.4
[M+CH3COO]- 270.109541 183.2
[M+Na-2H]- 232.070356 149.9
[M]+ 211.09514142 144.4
[M]- 211.09623858 144.4
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

No patent data available for this compound.