CID 72259

Fagomine

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

C1CN[C@@H]([C@H]([C@@H]1O)O)CO

InChI

InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1

InChIKey

YZNNBIPIQWYLDM-HSUXUTPPSA-N

Compound name

(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 47
References: 573
Patents: 147.08954 Da
Monoisotopic Mass: -1.4
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	137.9
[M-H]-	146.082264	128.7
[M+NH4]+	165.123363	149.6
[M+K]+	186.052698	135.2
[M+H-H2O]+	130.086800	127.2
[M+HCOO]-	192.087741	146.6
[M+CH3COO]-	206.103391	164.3
[M+Na-2H]-	168.064206	135.5
[M]+	147.08899142	124.9
[M]-	147.09008858	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe