CID 6476786

N-(trans-beta-styrenesulfonyl)-d-serine-beta-lactone

Structural Information

Molecular Formula
C11H11NO4S
SMILES
C1[C@H](C(=O)O1)NS(=O)(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C11H11NO4S/c13-11-10(8-16-11)12-17(14,15)7-6-9-4-2-1-3-5-9/h1-7,10,12H,8H2/b7-6+/t10-/m1/s1
InChIKey
CQXCEQYPOQVFEK-VQCYPWCPSA-N
Compound name
(E)-N-[(3R)-2-oxooxetan-3-yl]-2-phenylethenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.04088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04816 146.7
[M+Na]+ 276.03010 151.7
[M-H]- 252.03360 153.5
[M+NH4]+ 271.07470 155.5
[M+K]+ 292.00404 152.9
[M+H-H2O]+ 236.03814 133.8
[M+HCOO]- 298.03908 163.6
[M+CH3COO]- 312.05473 193.2
[M+Na-2H]- 274.01555 151.8
[M]+ 253.04033 157.2
[M]- 253.04143 157.2
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.