CID 451887

2',3'-anhydrolyxo-t

Structural Information

Molecular Formula
C10H12N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C3C(O3)[C@H](O2)CO
InChI
InChI=1S/C10H12N2O5/c1-4-2-12(10(15)11-8(4)14)9-7-6(17-7)5(3-13)16-9/h2,5-7,9,13H,3H2,1H3,(H,11,14,15)/t5-,6?,7?,9-/m1/s1
InChIKey
AXBTVCCVDAUCIY-SZDPNDIZSA-N
Compound name
1-[(2R,4R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

240.07462 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08190 154.5
[M+Na]+ 263.06384 167.6
[M-H]- 239.06734 160.1
[M+NH4]+ 258.10844 164.3
[M+K]+ 279.03778 164.0
[M+H-H2O]+ 223.07188 148.0
[M+HCOO]- 285.07282 171.2
[M+CH3COO]- 299.08847 189.9
[M+Na-2H]- 261.04929 158.3
[M]+ 240.07407 160.4
[M]- 240.07517 160.4
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.