CID 122618

Deoxyfuconojirimycin

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O

InChI

InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1

InChIKey

VYOCYWDJTQRZLC-KCDKBNATSA-N

Compound name

(2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 21
References: 176
Patents: 147.08954 Da
Monoisotopic Mass: -1.9
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]+	148.096816	132.2
[M+Na]+	170.078758	138.8
[M-H]-	146.082264	129.1
[M+NH4]+	165.123363	149.8
[M+K]+	186.052698	136.1
[M+H-H2O]+	130.086800	127.4
[M+HCOO]-	192.087741	146.5
[M+CH3COO]-	206.103391	165.6
[M+Na-2H]-	168.064206	134.7
[M]+	147.08899142	125.2
[M]-	147.09008858	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe