CID 284483

1709-88-2

Structural Information

Molecular Formula
C13H17NO4S
SMILES
C1COCCN1C(=O)CS(=O)(=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO4S/c15-13(14-6-8-18-9-7-14)11-19(16,17)10-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKey
KQGYUJZLKGSELN-UHFFFAOYSA-N
Compound name
2-benzylsulfonyl-1-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1424
References

0
Patents

283.08783 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 162.0
[M+Na]+ 306.07705 166.9
[M-H]- 282.08055 167.0
[M+NH4]+ 301.12165 174.8
[M+K]+ 322.05099 165.2
[M+H-H2O]+ 266.08509 154.3
[M+HCOO]- 328.08603 174.2
[M+CH3COO]- 342.10168 193.0
[M+Na-2H]- 304.06250 165.5
[M]+ 283.08728 162.1
[M]- 283.08838 162.1
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.