CID 2733696

101711-78-8

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

CCC(=O)N1[C@H](COC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1

InChIKey

WHOBYFHKONUTMW-NSHDSACASA-N

Compound name

(4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 472
Patents: 233.1052 Da
Monoisotopic Mass: 2.2
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]+	234.11248	151.7
[M+Na]+	256.09442	158.9
[M-H]-	232.09792	157.7
[M+NH4]+	251.13902	168.6
[M+K]+	272.06836	157.5
[M+H-H2O]+	216.10246	144.6
[M+HCOO]-	278.10340	172.2
[M+CH3COO]-	292.11905	189.2
[M+Na-2H]-	254.07987	154.1
[M]+	233.10465	152.5
[M]-	233.10575	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe