CID 492066

N-(phenethylsulfonyl)-d-serine-beta-lactone

Structural Information

Molecular Formula
C11H13NO4S
SMILES
C1[C@H](C(=O)O1)NS(=O)(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C11H13NO4S/c13-11-10(8-16-11)12-17(14,15)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-/m1/s1
InChIKey
VZNDOLBLUKRQME-SNVBAGLBSA-N
Compound name
N-[(3R)-2-oxooxetan-3-yl]-2-phenylethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.05653 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06381 147.1
[M+Na]+ 278.04575 151.7
[M-H]- 254.04925 153.8
[M+NH4]+ 273.09035 155.8
[M+K]+ 294.01969 153.5
[M+H-H2O]+ 238.05379 134.1
[M+HCOO]- 300.05473 163.8
[M+CH3COO]- 314.07038 194.6
[M+Na-2H]- 276.03120 152.3
[M]+ 255.05598 158.3
[M]- 255.05708 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.