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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 144.9
[M+Na]+ 240.06312 153.3
[M-H]- 216.06662 149.5
[M+NH4]+ 235.10772 165.1
[M+K]+ 256.03706 150.4
[M+H-H2O]+ 200.07116 138.7
[M+HCOO]- 262.07210 162.0
[M+CH3COO]- 276.08775 157.4
[M+Na-2H]- 238.04857 151.0
[M]+ 217.07335 141.2
[M]- 217.07445 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe