CID 208038

31537-06-1

Structural Information

Molecular Formula

C₁₆H₁₉NO₃

SMILES

C1CCC2(CC1)C(CC(=O)O2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H19NO3/c18-14-11-13(16(20-14)9-5-2-6-10-16)15(19)17-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,19)

InChIKey

KCMFZLBQXURGIT-UHFFFAOYSA-N

Compound name

2-oxo-N-phenyl-1-oxaspiro[4.5]decane-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 273.1365 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]+	274.143776	163.0
[M+Na]+	296.125718	166.9
[M-H]-	272.129224	171.4
[M+NH4]+	291.170323	180.8
[M+K]+	312.099658	164.8
[M+H-H2O]+	256.133760	155.8
[M+HCOO]-	318.134701	181.8
[M+CH3COO]-	332.150351	196.3
[M+Na-2H]-	294.111166	165.9
[M]+	273.13595142	157.4
[M]-	273.13704858	157.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.