CID 2813375

84157-05-1

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

C1CN(CCC12OCCO2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H17NO3/c16-13(12-4-2-1-3-5-12)15-8-6-14(7-9-15)17-10-11-18-14/h1-5H,6-11H2

InChIKey

FDLWODUQUBESCB-UHFFFAOYSA-N

Compound name

1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 6
Patents: 247.12085 Da
Monoisotopic Mass: 1.3
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]+	248.128126	155.8
[M+Na]+	270.110068	160.4
[M-H]-	246.113574	163.4
[M+NH4]+	265.154673	172.1
[M+K]+	286.084008	160.4
[M+H-H2O]+	230.118110	148.1
[M+HCOO]-	292.119051	171.8
[M+CH3COO]-	306.134701	167.1
[M+Na-2H]-	268.095516	160.2
[M]+	247.12030142	151.5
[M]-	247.12139858	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe