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]+ 240.105276 154.0
[M+Na]+ 262.087218 161.7
[M-H]- 238.090724 159.5
[M+NH4]+ 257.131823 172.7
[M+K]+ 278.061158 158.4
[M+H-H2O]+ 222.095260 147.6
[M+HCOO]- 284.096201 170.0
[M+CH3COO]- 298.111851 187.0
[M+Na-2H]- 260.072666 155.5
[M]+ 239.09745142 154.7
[M]- 239.09854858 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