CID 146050211

2413848-05-0

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

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

InChI

InChI=1S/C7H15NO2/c1-6(9)3-4-8-5-7(6,2)10/h8-10H,3-5H2,1-2H3/t6-,7+/m1/s1

InChIKey

HGXYINYVAXMHLR-RQJHMYQMSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 145.11028 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]+	146.11756	131.4
[M+Na]+	168.09950	140.8
[M+NH4]+	163.14410	141.6
[M+K]+	184.07344	133.0
[M-H]-	144.10300	131.0
[M+Na-2H]-	166.08495	137.8
[M]+	145.10973	132.7
[M]-	145.11083	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.