CID 82481

10238-27-4

Structural Information

Molecular Formula
C11H13NO7
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2[N+](=O)[O-])O)O)O
InChI
InChI=1S/C11H13NO7/c13-7-5-18-11(10(15)9(7)14)19-8-4-2-1-3-6(8)12(16)17/h1-4,7,9-11,13-15H,5H2/t7-,9+,10-,11+/m1/s1
InChIKey
YPQCLGUTGDQYNI-DQDDRIPDSA-N
Compound name
(2S,3R,4S,5R)-2-(2-nitrophenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

271.0692 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07648 154.4
[M+Na]+ 294.05842 159.3
[M-H]- 270.06192 157.9
[M+NH4]+ 289.10302 166.2
[M+K]+ 310.03236 154.3
[M+H-H2O]+ 254.06646 152.1
[M+HCOO]- 316.06740 171.9
[M+CH3COO]- 330.08305 183.5
[M+Na-2H]- 292.04387 159.9
[M]+ 271.06865 150.9
[M]- 271.06975 150.9
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