CID 3066888

Brn 4755492

Structural Information

Molecular Formula
C13H17NO4S
SMILES
CCCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO4S/c1-2-10-18-13-9-8-12(15)14(13)19(16,17)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKey
OOJIBZPCRJHTOG-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.08783 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 163.6
[M+Na]+ 306.07705 171.5
[M-H]- 282.08055 169.2
[M+NH4]+ 301.12165 180.4
[M+K]+ 322.05099 168.4
[M+H-H2O]+ 266.08509 157.0
[M+HCOO]- 328.08603 179.8
[M+CH3COO]- 342.10168 194.4
[M+Na-2H]- 304.06250 164.5
[M]+ 283.08728 167.1
[M]- 283.08838 167.1
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

patents stripe