CID 451888

2',3'-anhydrolyxo-bru

Structural Information

Molecular Formula
C9H9BrN2O5
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2C3C(O3)[C@H](O2)CO)Br
InChI
InChI=1S/C9H9BrN2O5/c10-3-1-12(9(15)11-7(3)14)8-6-5(17-6)4(2-13)16-8/h1,4-6,8,13H,2H2,(H,11,14,15)/t4-,5?,6?,8-/m1/s1
InChIKey
SKRTYOMHKSSCJF-LVHTXCCMSA-N
Compound name
5-bromo-1-[(2R,4R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.96948 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.97676 160.5
[M+Na]+ 326.95870 176.3
[M-H]- 302.96220 168.4
[M+NH4]+ 322.00330 171.8
[M+K]+ 342.93264 165.0
[M+H-H2O]+ 286.96674 159.9
[M+HCOO]- 348.96768 175.6
[M+CH3COO]- 362.98333 196.4
[M+Na-2H]- 324.94415 165.7
[M]+ 303.96893 183.4
[M]- 303.97003 183.4
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.