CID 563071

10019-95-1

Structural Information

Molecular Formula
C11H13NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2=O
InChI
InChI=1S/C11H13NO3S/c1-9-4-6-10(7-5-9)16(14,15)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
InChIKey
AAXCXJDQWSSCHL-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

239.06161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06889 151.6
[M+Na]+ 262.05083 160.7
[M-H]- 238.05433 157.6
[M+NH4]+ 257.09543 170.4
[M+K]+ 278.02477 157.5
[M+H-H2O]+ 222.05887 145.6
[M+HCOO]- 284.05981 168.3
[M+CH3COO]- 298.07546 186.3
[M+Na-2H]- 260.03628 153.2
[M]+ 239.06106 153.0
[M]- 239.06216 153.0
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

No patent data available for this compound.