CID 13092591

1012-87-9

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

CC1C(=O)N(C(=O)O1)C2=CC=CC=C2

InChI

InChI=1S/C10H9NO3/c1-7-9(12)11(10(13)14-7)8-5-3-2-4-6-8/h2-7H,1H3

InChIKey

ORIGTQOWPHVRQD-UHFFFAOYSA-N

Compound name

5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 3
Patents: 191.05824 Da
Monoisotopic Mass: 1.7
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	136.7
[M+Na]+	214.04746	146.3
[M-H]-	190.05096	143.4
[M+NH4]+	209.09206	155.6
[M+K]+	230.02140	145.2
[M+H-H2O]+	174.05550	130.3
[M+HCOO]-	236.05644	159.2
[M+CH3COO]-	250.07209	181.1
[M+Na-2H]-	212.03291	141.2
[M]+	191.05769	137.5
[M]-	191.05879	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe