CID 5276913

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

Structural Information

Molecular Formula
C9H13N3O2
SMILES
C/C(=C\CN1C=CC(=NC1=O)N)/CO
InChI
InChI=1S/C9H13N3O2/c1-7(6-13)2-4-12-5-3-8(10)11-9(12)14/h2-3,5,13H,4,6H2,1H3,(H2,10,11,14)/b7-2+
InChIKey
SDBYAKJJFCDAAT-FARCUNLSSA-N
Compound name
4-amino-1-[(E)-4-hydroxy-3-methylbut-2-enyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

195.10077 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 142.8
[M+Na]+ 218.08999 151.2
[M-H]- 194.09349 142.3
[M+NH4]+ 213.13459 158.6
[M+K]+ 234.06393 147.9
[M+H-H2O]+ 178.09803 135.5
[M+HCOO]- 240.09897 163.5
[M+CH3COO]- 254.11462 183.3
[M+Na-2H]- 216.07544 147.1
[M]+ 195.10022 141.6
[M]- 195.10132 141.6
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.