CID 82482

10238-28-5

Structural Information

Molecular Formula

C₁₁H₁₃NO₇

SMILES

C1[C@H]([C@@H]([C@H]([C@H](O1)OC2=CC=C(C=C2)[N+](=O)[O-])O)O)O

InChI

InChI=1S/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9+,10-,11-/m1/s1

InChIKey

MLJYKRYCCUGBBV-LMLFDSFASA-N

Compound name

(2R,3R,4S,5R)-2-(4-nitrophenoxy)oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 130
References: 1893
Patents: 271.0692 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe