CID 9989819

Nojirimycin

Structural Information

Molecular Formula

C₆H₁₃NO₅

SMILES

C([C@@H]1[C@H]([C@@H]([C@@H](C(N1)O)O)O)O)O

InChI

InChI=1S/C6H13NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-12H,1H2/t2-,3-,4+,5+,6?/m1/s1

InChIKey

BGMYHTUCJVZIRP-QTVWNMPRSA-N

Compound name

(3S,4S,5R,6R)-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 85
References: 1659
Patents: 179.07938 Da
Monoisotopic Mass: -2.9
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]+	180.08666	136.7
[M+Na]+	202.06860	144.0
[M+NH4]+	197.11320	141.3
[M+K]+	218.04254	142.8
[M-H]-	178.07210	133.2
[M+Na-2H]-	200.05405	136.1
[M]+	179.07883	136.0
[M]-	179.07993	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe