CID 3041861

Pyrrolidine, 1-((4-ethylphenyl)sulfonyl)-

Structural Information

Molecular Formula
C12H17NO2S
SMILES
CCC1=CC=C(C=C1)S(=O)(=O)N2CCCC2
InChI
InChI=1S/C12H17NO2S/c1-2-11-5-7-12(8-6-11)16(14,15)13-9-3-4-10-13/h5-8H,2-4,9-10H2,1H3
InChIKey
YEPNMSKUQNVBHN-UHFFFAOYSA-N
Compound name
1-(4-ethylphenyl)sulfonylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.098 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10528 154.0
[M+Na]+ 262.08722 161.7
[M-H]- 238.09072 159.5
[M+NH4]+ 257.13182 172.7
[M+K]+ 278.06116 158.4
[M+H-H2O]+ 222.09526 147.6
[M+HCOO]- 284.09620 170.0
[M+CH3COO]- 298.11185 187.0
[M+Na-2H]- 260.07267 155.5
[M]+ 239.09745 154.7
[M]- 239.09855 154.7
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