CID 16217968

1-(2-hydroxyethyl)-4-piperidone ethylene ketal

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

C1CN(CCC12OCCO2)CCO

InChI

InChI=1S/C9H17NO3/c11-6-5-10-3-1-9(2-4-10)12-7-8-13-9/h11H,1-8H2

InChIKey

PXTUQQILCNMBLU-UHFFFAOYSA-N

Compound name

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 187.12085 Da
Monoisotopic Mass: -0.5
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]+	188.12813	140.7
[M+Na]+	210.11007	145.4
[M-H]-	186.11357	143.8
[M+NH4]+	205.15467	159.3
[M+K]+	226.08401	146.3
[M+H-H2O]+	170.11811	134.8
[M+HCOO]-	232.11905	156.1
[M+CH3COO]-	246.13470	174.9
[M+Na-2H]-	208.09552	146.7
[M]+	187.12030	136.8
[M]-	187.12140	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe