CID 13517184

14825-82-2

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

C1=CC=C(C=C1)C[C@H]2C(=O)OC(=O)N2

InChI

InChI=1S/C10H9NO3/c12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,13)/t8-/m0/s1

InChIKey

GQBIVYSGPXCELZ-QMMMGPOBSA-N

Compound name

(4S)-4-benzyl-1,3-oxazolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 297
Patents: 191.05824 Da
Monoisotopic Mass: 1.5
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]+	192.06552	137.9
[M+Na]+	214.04746	146.1
[M-H]-	190.05096	142.8
[M+NH4]+	209.09206	155.8
[M+K]+	230.02140	144.1
[M+H-H2O]+	174.05550	131.4
[M+HCOO]-	236.05644	158.9
[M+CH3COO]-	250.07209	177.4
[M+Na-2H]-	212.03291	142.6
[M]+	191.05769	136.5
[M]-	191.05879	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe