CID 90420900

2305252-89-3

Structural Information

Molecular Formula

C₁₃H₂₃NO₂

SMILES

C1CC2(CCC1C3CCNCC3)OCCO2

InChI

InChI=1S/C13H23NO2/c1-5-13(15-9-10-16-13)6-2-11(1)12-3-7-14-8-4-12/h11-12,14H,1-10H2

InChIKey

SXAGJEZBUDGJTR-UHFFFAOYSA-N

Compound name

4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 225.17288 Da
Monoisotopic Mass: 1.5
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]+	226.180156	154.3
[M+Na]+	248.162098	155.7
[M-H]-	224.165604	159.2
[M+NH4]+	243.206703	170.6
[M+K]+	264.136038	155.1
[M+H-H2O]+	208.170140	146.7
[M+HCOO]-	270.171081	165.2
[M+CH3COO]-	284.186731	163.6
[M+Na-2H]-	246.147546	156.7
[M]+	225.17233142	143.4
[M]-	225.17342858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe