CID 977774

Pyridine, 2-(2-(p-tolylsulfonyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C14H15NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)CCC2=CC=CC=N2
InChI
InChI=1S/C14H15NO2S/c1-12-5-7-14(8-6-12)18(16,17)11-9-13-4-2-3-10-15-13/h2-8,10H,9,11H2,1H3
InChIKey
HMADCCWQLGEFMC-UHFFFAOYSA-N
Compound name
2-[2-(4-methylphenyl)sulfonylethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

261.08234 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08962 157.7
[M+Na]+ 284.07156 166.5
[M-H]- 260.07506 163.4
[M+NH4]+ 279.11616 173.6
[M+K]+ 300.04550 161.7
[M+H-H2O]+ 244.07960 150.1
[M+HCOO]- 306.08054 175.0
[M+CH3COO]- 320.09619 192.4
[M+Na-2H]- 282.05701 162.7
[M]+ 261.08179 160.8
[M]- 261.08289 160.8
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