CID 132342114

8-benzyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one

Structural Information

Molecular Formula

C₁₅H₁₇NO₂

SMILES

C1CN(CCC12C(=O)C=CO2)CC3=CC=CC=C3

InChI

InChI=1S/C15H17NO2/c17-14-6-11-18-15(14)7-9-16(10-8-15)12-13-4-2-1-3-5-13/h1-6,11H,7-10,12H2

InChIKey

DVNXFIAYIZOBGV-UHFFFAOYSA-N

Compound name

8-benzyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.12593 Da
Monoisotopic Mass: 1.9
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]+	244.133206	155.3
[M+Na]+	266.115148	161.6
[M-H]-	242.118654	162.8
[M+NH4]+	261.159753	173.6
[M+K]+	282.089088	159.1
[M+H-H2O]+	226.123190	147.2
[M+HCOO]-	288.124131	174.2
[M+CH3COO]-	302.139781	167.2
[M+Na-2H]-	264.100596	159.9
[M]+	243.12538142	151.8
[M]-	243.12647858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.