CID 6450952

Hoch2ch=ch-ch2-cytosine

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1=CN(C(=O)N=C1N)C/C=C/CO
InChI
InChI=1S/C8H11N3O2/c9-7-3-5-11(8(13)10-7)4-1-2-6-12/h1-3,5,12H,4,6H2,(H2,9,10,13)/b2-1+
InChIKey
HGNXPEBCWGQXGP-OWOJBTEDSA-N
Compound name
4-amino-1-[(E)-4-hydroxybut-2-enyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

181.08513 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 137.9
[M+Na]+ 204.074348 147.0
[M-H]- 180.077854 137.5
[M+NH4]+ 199.118953 154.4
[M+K]+ 220.048288 143.4
[M+H-H2O]+ 164.082390 130.7
[M+HCOO]- 226.083331 159.9
[M+CH3COO]- 240.098981 179.4
[M+Na-2H]- 202.059796 144.0
[M]+ 181.08458142 137.0
[M]- 181.08567858 137.0
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.