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]+ 212.10297 145.1
[M+Na]+ 234.08491 153.2
[M-H]- 210.08841 144.5
[M+NH4]+ 229.12951 160.1
[M+K]+ 250.05885 150.5
[M+H-H2O]+ 194.09295 137.5
[M+HCOO]- 256.09389 165.9
[M+CH3COO]- 270.10954 186.2
[M+Na-2H]- 232.07036 149.4
[M]+ 211.09514 145.4
[M]- 211.09624 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.