CID 13053010

3,4-dihydro-2h-spiro[naphthalene-1,2'-[1,4]oxazolidine]-3',5'-dione

Structural Information

Molecular Formula

C₁₂H₁₁NO₃

SMILES

C1CC2=CC=CC=C2C3(C1)C(=O)NC(=O)O3

InChI

InChI=1S/C12H11NO3/c14-10-12(16-11(15)13-10)7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H,13,14,15)

InChIKey

SOKLCOPCKATUMT-UHFFFAOYSA-N

Compound name

spiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 217.0739 Da
Monoisotopic Mass: 1.8
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]+	218.081176	144.9
[M+Na]+	240.063118	153.3
[M-H]-	216.066624	149.5
[M+NH4]+	235.107723	165.1
[M+K]+	256.037058	150.4
[M+H-H2O]+	200.071160	138.7
[M+HCOO]-	262.072101	162.0
[M+CH3COO]-	276.087751	157.4
[M+Na-2H]-	238.048566	151.0
[M]+	217.07335142	141.2
[M]-	217.07444858	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe