CID 60043679

Rac-(3r,4s)-4-methylpiperidine-3,4-diol hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

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

InChI

InChI=1S/C6H13NO2/c1-6(9)2-3-7-4-5(6)8/h5,7-9H,2-4H2,1H3/t5-,6+/m0/s1

InChIKey

FMSHPCGQFCRYOE-NTSWFWBYSA-N

Compound name

(3S,4R)-4-methylpiperidine-3,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 131.09464 Da
Monoisotopic Mass: -1.1
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	128.8
[M+Na]+	154.08386	134.9
[M-H]-	130.08736	126.8
[M+NH4]+	149.12846	149.4
[M+K]+	170.05780	132.9
[M+H-H2O]+	114.09190	124.4
[M+HCOO]-	176.09284	144.5
[M+CH3COO]-	190.10849	162.9
[M+Na-2H]-	152.06931	134.5
[M]+	131.09409	121.8
[M]-	131.09519	121.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe