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]+ 182.09241 137.9
[M+Na]+ 204.07435 147.0
[M-H]- 180.07785 137.5
[M+NH4]+ 199.11895 154.4
[M+K]+ 220.04829 143.4
[M+H-H2O]+ 164.08239 130.7
[M+HCOO]- 226.08333 159.9
[M+CH3COO]- 240.09898 179.4
[M+Na-2H]- 202.05980 144.0
[M]+ 181.08458 137.0
[M]- 181.08568 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.