CID 13016598

Benzyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

C1CN(CCC12CO2)C(=O)OCC3=CC=CC=C3

InChI

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

InChIKey

FDDADAAYFIUZLX-UHFFFAOYSA-N

Compound name

benzyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 195
Patents: 247.12085 Da
Monoisotopic Mass: 1.6
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]+	248.12813	161.2
[M+Na]+	270.11007	174.9
[M+NH4]+	265.15467	171.2
[M+K]+	286.08401	168.0
[M-H]-	246.11357	173.1
[M+Na-2H]-	268.09552	171.5
[M]+	247.12030	167.8
[M]-	247.12140	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe