CID 9568076

3-{[(e)-phenylmethylidene]amino}-1,3-oxazolidin-2-one

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1COC(=O)N1/N=C/C2=CC=CC=C2

InChI

InChI=1S/C10H10N2O2/c13-10-12(6-7-14-10)11-8-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b11-8+

InChIKey

KLPATRQALFAQPA-DHZHZOJOSA-N

Compound name

3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 190.07423 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]+	191.08151	138.3
[M+Na]+	213.06345	145.7
[M-H]-	189.06695	145.6
[M+NH4]+	208.10805	157.1
[M+K]+	229.03739	144.9
[M+H-H2O]+	173.07149	130.7
[M+HCOO]-	235.07243	163.1
[M+CH3COO]-	249.08808	183.5
[M+Na-2H]-	211.04890	145.0
[M]+	190.07368	137.9
[M]-	190.07478	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe