CID 3010809

1-[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-methoxy-pyrimidin-2-one

Structural Information

Molecular Formula
C11H16N2O5
SMILES
COC1=NC(=O)N(C=C1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO
InChI
InChI=1S/C11H16N2O5/c1-18-8-2-3-13(11(17)12-8)7-4-6(5-14)9(15)10(7)16/h2-3,6-7,9-10,14-16H,4-5H2,1H3/t6-,7-,9-,10+/m1/s1
InChIKey
QQWBDWYQYGPGQL-ZXZZCXTASA-N
Compound name
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-methoxypyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.10593 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 154.7
[M+Na]+ 279.09515 163.3
[M-H]- 255.09865 155.7
[M+NH4]+ 274.13975 169.1
[M+K]+ 295.06909 160.2
[M+H-H2O]+ 239.10319 147.7
[M+HCOO]- 301.10413 171.8
[M+CH3COO]- 315.11978 187.6
[M+Na-2H]- 277.08060 155.1
[M]+ 256.10538 154.5
[M]- 256.10648 154.5
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.