CID 452998

1-(methoxy-(4-hydroxybuten-3-yl)-cytosine

Structural Information

Molecular Formula
C9H13N3O3
SMILES
C=C[C@@H](CO)OCN1C=CC(=NC1=O)N
InChI
InChI=1S/C9H13N3O3/c1-2-7(5-13)15-6-12-4-3-8(10)11-9(12)14/h2-4,7,13H,1,5-6H2,(H2,10,11,14)/t7-/m0/s1
InChIKey
QTHAIQNVKFSUKG-ZETCQYMHSA-N
Compound name
4-amino-1-[[(2S)-1-hydroxybut-3-en-2-yl]oxymethyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.09569 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.102966 145.1
[M+Na]+ 234.084908 153.2
[M-H]- 210.088414 144.5
[M+NH4]+ 229.129513 160.1
[M+K]+ 250.058848 150.5
[M+H-H2O]+ 194.092950 137.5
[M+HCOO]- 256.093891 165.9
[M+CH3COO]- 270.109541 186.2
[M+Na-2H]- 232.070356 149.4
[M]+ 211.09514142 145.4
[M]- 211.09623858 145.4
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.