CID 57449463

6-deoxyfagomine

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC1C(C(CCN1)O)O

InChI

InChI=1S/C6H13NO2/c1-4-6(9)5(8)2-3-7-4/h4-9H,2-3H2,1H3

InChIKey

RMJCALHKIHCSMY-UHFFFAOYSA-N

Compound name

2-methylpiperidine-3,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 131.09464 Da
Monoisotopic Mass: -0.9
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]+	132.10192	128.7
[M+Na]+	154.08386	134.9
[M-H]-	130.08736	126.7
[M+NH4]+	149.12846	147.5
[M+K]+	170.05780	132.6
[M+H-H2O]+	114.09190	123.7
[M+HCOO]-	176.09284	144.5
[M+CH3COO]-	190.10849	164.5
[M+Na-2H]-	152.06931	132.5
[M]+	131.09409	121.7
[M]-	131.09519	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe