CID 3086723

Brn 4756507

Structural Information

Molecular Formula
C14H19NO4S
SMILES
CC(C)COC1CCC(=O)N1S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO4S/c1-11(2)10-19-14-9-8-13(16)15(14)20(17,18)12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3
InChIKey
NBJAYTQYIFOZRW-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-(2-methylpropoxy)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1035 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11078 167.8
[M+Na]+ 320.09272 177.2
[M+NH4]+ 315.13732 174.0
[M+K]+ 336.06666 172.7
[M-H]- 296.09622 168.4
[M+Na-2H]- 318.07817 171.6
[M]+ 297.10295 169.5
[M]- 297.10405 169.5
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.