CID 7099156

152305-23-2

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C1[C@@H](NC(=O)O1)CC2=CC=C(C=C2)N

InChI

InChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13)/t9-/m0/s1

InChIKey

WNAVSKJKDPLWBD-VIFPVBQESA-N

Compound name

(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 101
Patents: 192.08987 Da
Monoisotopic Mass: 1.1
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	141.7
[M+Na]+	215.07909	152.4
[M+NH4]+	210.12369	149.2
[M+K]+	231.05303	149.2
[M-H]-	191.08259	145.4
[M+Na-2H]-	213.06454	146.9
[M]+	192.08932	144.0
[M]-	192.09042	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe