CID 832420

1-benzenesulfinylpiperidine

Structural Information

Molecular Formula
C11H15NOS
SMILES
C1CCN(CC1)S(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H15NOS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
LBRJCAJLGAXDKP-UHFFFAOYSA-N
Compound name
1-(benzenesulfinyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

167
Patents

209.08743 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09471 144.2
[M+Na]+ 232.07665 149.4
[M-H]- 208.08015 148.7
[M+NH4]+ 227.12125 161.6
[M+K]+ 248.05059 146.3
[M+H-H2O]+ 192.08469 136.7
[M+HCOO]- 254.08563 158.3
[M+CH3COO]- 268.10128 182.6
[M+Na-2H]- 230.06210 146.7
[M]+ 209.08688 140.9
[M]- 209.08798 140.9
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