CID 2817659

93413-56-0

Structural Information

Molecular Formula

C₁₇H₂₅NO₂

SMILES

CN1CC(C2(CCCCC2)OC1)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H25NO2/c1-18-12-16(14-6-8-15(19-2)9-7-14)17(20-13-18)10-4-3-5-11-17/h6-9,16H,3-5,10-13H2,1-2H3

InChIKey

LAMCFGHHGFIVSC-UHFFFAOYSA-N

Compound name

5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 275.18854 Da
Monoisotopic Mass: 3.3
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]+	276.195816	167.2
[M+Na]+	298.177758	171.2
[M-H]-	274.181264	173.7
[M+NH4]+	293.222363	182.4
[M+K]+	314.151698	169.2
[M+H-H2O]+	258.185800	157.8
[M+HCOO]-	320.186741	181.3
[M+CH3COO]-	334.202391	177.0
[M+Na-2H]-	296.163206	170.7
[M]+	275.18799142	161.7
[M]-	275.18908858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe