CID 3078167

120256-72-6

Structural Information

Molecular Formula
C12H15NO5S
SMILES
CCOC1CC(C(=O)N1S(=O)(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C12H15NO5S/c1-2-18-11-8-10(14)12(15)13(11)19(16,17)9-6-4-3-5-7-9/h3-7,10-11,14H,2,8H2,1H3
InChIKey
LTIIFQOJIGVKBQ-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-ethoxy-3-hydroxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

285.0671 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.074376 161.9
[M+Na]+ 308.056318 170.2
[M-H]- 284.059824 166.5
[M+NH4]+ 303.100923 178.0
[M+K]+ 324.030258 167.1
[M+H-H2O]+ 268.064360 155.9
[M+HCOO]- 330.065301 177.0
[M+CH3COO]- 344.080951 192.4
[M+Na-2H]- 306.041766 162.5
[M]+ 285.06655142 165.0
[M]- 285.06764858 165.0
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

patents stripe