CID 212878

Brn 0612994

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

C1CCC2(CC1)NCC(O2)C3=CC(=CC=C3)O

InChI

InChI=1S/C14H19NO2/c16-12-6-4-5-11(9-12)13-10-15-14(17-13)7-2-1-3-8-14/h4-6,9,13,15-16H,1-3,7-8,10H2

InChIKey

VQSBHOGGWSXXJA-UHFFFAOYSA-N

Compound name

3-(1-oxa-4-azaspiro[4.5]decan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 233.14159 Da
Monoisotopic Mass: 2.3
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]+	234.14887	154.1
[M+Na]+	256.13081	158.7
[M-H]-	232.13431	158.6
[M+NH4]+	251.17541	171.4
[M+K]+	272.10475	155.3
[M+H-H2O]+	216.13885	146.8
[M+HCOO]-	278.13979	168.6
[M+CH3COO]-	292.15544	164.5
[M+Na-2H]-	254.11626	157.5
[M]+	233.14104	146.0
[M]-	233.14214	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe