CID 25147292

(+/-)-1-[4,4-bis-(hydroxymethyl)-5-methylene-cyclopent-2-enyl]cytosine

Structural Information

Molecular Formula
C12H15N3O3
SMILES
C=C1C(C=CC1(CO)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C12H15N3O3/c1-8-9(2-4-12(8,6-16)7-17)15-5-3-10(13)14-11(15)18/h2-5,9,16-17H,1,6-7H2,(H2,13,14,18)
InChIKey
NIVCMUXTOMRYGS-UHFFFAOYSA-N
Compound name
4-amino-1-[4,4-bis(hydroxymethyl)-5-methylidenecyclopent-2-en-1-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.11134 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11862 153.8
[M+Na]+ 272.10056 163.4
[M-H]- 248.10406 156.0
[M+NH4]+ 267.14516 170.7
[M+K]+ 288.07450 158.7
[M+H-H2O]+ 232.10860 147.1
[M+HCOO]- 294.10954 174.0
[M+CH3COO]- 308.12519 190.1
[M+Na-2H]- 270.08601 156.5
[M]+ 249.11079 152.1
[M]- 249.11189 152.1
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.