CID 504019

Schembl7846754

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C1C(C(=O)N(O1)CC2=CC=CC=C2)N

InChI

InChI=1S/C10H12N2O2/c11-9-7-14-12(10(9)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2

InChIKey

NSUMIHXJWJGUJE-UHFFFAOYSA-N

Compound name

4-amino-2-benzyl-1,2-oxazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 192.08987 Da
Monoisotopic Mass: 0.2
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]+	193.09715	140.2
[M+Na]+	215.07909	147.7
[M-H]-	191.08259	145.9
[M+NH4]+	210.12369	158.3
[M+K]+	231.05303	146.2
[M+H-H2O]+	175.08713	133.1
[M+HCOO]-	237.08807	162.7
[M+CH3COO]-	251.10372	182.9
[M+Na-2H]-	213.06454	144.7
[M]+	192.08932	138.2
[M]-	192.09042	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe