CID 9795741

146798-66-5

Structural Information

Molecular Formula
C15H23NO2S
SMILES
CCCN1CCC[C@H](C1)C2=CC(=CC=C2)S(=O)(=O)C
InChI
InChI=1S/C15H23NO2S/c1-3-9-16-10-5-7-14(12-16)13-6-4-8-15(11-13)19(2,17)18/h4,6,8,11,14H,3,5,7,9-10,12H2,1-2H3/t14-/m1/s1
InChIKey
GZVBVBMMNFIXGE-CQSZACIVSA-N
Compound name
(3S)-3-(3-methylsulfonylphenyl)-1-propylpiperidine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

61
References

215
Patents

281.14496 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.15224 165.0
[M+Na]+ 304.13418 171.0
[M-H]- 280.13768 169.7
[M+NH4]+ 299.17878 180.1
[M+K]+ 320.10812 166.8
[M+H-H2O]+ 264.14222 157.5
[M+HCOO]- 326.14316 177.7
[M+CH3COO]- 340.15881 197.6
[M+Na-2H]- 302.11963 166.1
[M]+ 281.14441 164.7
[M]- 281.14551 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe