CID 6246185

36275-79-3

Structural Information

Molecular Formula
C13H17NO2S
SMILES
C1CCN(C1)C/C=C/S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO2S/c15-17(16,13-7-2-1-3-8-13)12-6-11-14-9-4-5-10-14/h1-3,6-8,12H,4-5,9-11H2/b12-6+
InChIKey
NZAZYGYCZYZXTC-WUXMJOGZSA-N
Compound name
1-[(E)-3-(benzenesulfonyl)prop-2-enyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.098 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10528 158.5
[M+Na]+ 274.08722 165.2
[M-H]- 250.09072 163.4
[M+NH4]+ 269.13182 176.3
[M+K]+ 290.06116 161.1
[M+H-H2O]+ 234.09526 151.6
[M+HCOO]- 296.09620 174.3
[M+CH3COO]- 310.11185 187.3
[M+Na-2H]- 272.07267 160.0
[M]+ 251.09745 158.3
[M]- 251.09855 158.3
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.