CID 145867580

2375259-93-9

Structural Information

Molecular Formula

C₈H₁₅NO₄

SMILES

CCOC(=O)C1CNCC(C1O)O

InChI

InChI=1S/C8H15NO4/c1-2-13-8(12)5-3-9-4-6(10)7(5)11/h5-7,9-11H,2-4H2,1H3

InChIKey

AXRVAYHUTGGQHA-UHFFFAOYSA-N

Compound name

ethyl 4,5-dihydroxypiperidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.10011 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]+	190.10739	141.9
[M+Na]+	212.08933	147.1
[M-H]-	188.09283	139.5
[M+NH4]+	207.13393	158.1
[M+K]+	228.06327	145.3
[M+H-H2O]+	172.09737	136.2
[M+HCOO]-	234.09831	156.6
[M+CH3COO]-	248.11396	174.4
[M+Na-2H]-	210.07478	143.5
[M]+	189.09956	137.1
[M]-	189.10066	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.