CID 151437

6892-58-6

Structural Information

Molecular Formula
C11H13NO7
SMILES
C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O
InChI
InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11+/m0/s1
InChIKey
DUYYBTBDYZXISX-UKKRHICBSA-N
Compound name
(2S,3R,4R,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

714
Patents

271.0692 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07648 154.7
[M+Na]+ 294.05842 160.3
[M-H]- 270.06192 158.5
[M+NH4]+ 289.10302 168.4
[M+K]+ 310.03236 155.0
[M+H-H2O]+ 254.06646 153.3
[M+HCOO]- 316.06740 174.4
[M+CH3COO]- 330.08305 182.8
[M+Na-2H]- 292.04387 159.2
[M]+ 271.06865 153.1
[M]- 271.06975 153.1
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

patents stripe