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]+ 212.10297 146.1
[M+Na]+ 234.08491 153.8
[M-H]- 210.08841 144.2
[M+NH4]+ 229.12951 160.4
[M+K]+ 250.05885 150.3
[M+H-H2O]+ 194.09295 138.8
[M+HCOO]- 256.09389 165.4
[M+CH3COO]- 270.10954 183.2
[M+Na-2H]- 232.07036 149.9
[M]+ 211.09514 144.4
[M]- 211.09624 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.