CID 3066888

2-pyrrolidinone, 1-(phenylsulfonyl)-5-propoxy-

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

9
Patents

283.08783 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.095106 163.6
[M+Na]+ 306.077048 171.5
[M-H]- 282.080554 169.2
[M+NH4]+ 301.121653 180.4
[M+K]+ 322.050988 168.4
[M+H-H2O]+ 266.085090 157.0
[M+HCOO]- 328.086031 179.8
[M+CH3COO]- 342.101681 194.4
[M+Na-2H]- 304.062496 164.5
[M]+ 283.08728142 167.1
[M]- 283.08837858 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