CID 492080

N-(phenylsulfonyl)-d-allo-threonine-beta-lactone

Structural Information

Molecular Formula

C₁₀H₁₁NO₄S

SMILES

C[C@@H]1[C@H](C(=O)O1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C10H11NO4S/c1-7-9(10(12)15-7)11-16(13,14)8-5-3-2-4-6-8/h2-7,9,11H,1H3/t7-,9-/m1/s1

InChIKey

NLVRNPGDRMOTOF-VXNVDRBHSA-N

Compound name

N-[(2R,3R)-2-methyl-4-oxooxetan-3-yl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 241.04088 Da
Monoisotopic Mass: 1.0
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]+	242.048156	142.9
[M+Na]+	264.030098	148.7
[M-H]-	240.033604	150.1
[M+NH4]+	259.074703	152.5
[M+K]+	280.004038	150.7
[M+H-H2O]+	224.038140	130.3
[M+HCOO]-	286.039081	159.8
[M+CH3COO]-	300.054731	192.9
[M+Na-2H]-	262.015546	147.9
[M]+	241.04033142	154.2
[M]-	241.04142858	154.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.