CID 3011752

(2s,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-carbaldehyde

Structural Information

Molecular Formula
C10H12N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)C=O
InChI
InChI=1S/C10H12N2O5/c13-4-6-3-9(17-7(6)5-14)12-2-1-8(15)11-10(12)16/h1-2,4,6-7,9,14H,3,5H2,(H,11,15,16)/t6-,7-,9-/m1/s1
InChIKey
BVGTURMMWMXZRC-ZXFLCMHBSA-N
Compound name
(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.07462 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08190 148.3
[M+Na]+ 263.06384 157.7
[M-H]- 239.06734 151.1
[M+NH4]+ 258.10844 162.4
[M+K]+ 279.03778 155.1
[M+H-H2O]+ 223.07188 141.2
[M+HCOO]- 285.07282 166.8
[M+CH3COO]- 299.08847 184.3
[M+Na-2H]- 261.04929 150.9
[M]+ 240.07407 148.4
[M]- 240.07517 148.4
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.