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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04816 142.9
[M+Na]+ 264.03010 148.7
[M-H]- 240.03360 150.1
[M+NH4]+ 259.07470 152.5
[M+K]+ 280.00404 150.7
[M+H-H2O]+ 224.03814 130.3
[M+HCOO]- 286.03908 159.8
[M+CH3COO]- 300.05473 192.9
[M+Na-2H]- 262.01555 147.9
[M]+ 241.04033 154.2
[M]- 241.04143 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.