CID 501132

60264-30-4

Structural Information

Molecular Formula
C14H15NO2S
SMILES
CC1=CC=C(C=C1)C(C)S(=O)C2=CC=CC=[N+]2[O-]
InChI
InChI=1S/C14H15NO2S/c1-11-6-8-13(9-7-11)12(2)18(17)14-5-3-4-10-15(14)16/h3-10,12H,1-2H3
InChIKey
CLJYDTOMBBIAHU-UHFFFAOYSA-N
Compound name
2-[1-(4-methylphenyl)ethylsulfinyl]-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

261.08234 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08962 156.0
[M+Na]+ 284.07156 163.1
[M-H]- 260.07506 160.4
[M+NH4]+ 279.11616 170.7
[M+K]+ 300.04550 154.1
[M+H-H2O]+ 244.07960 153.1
[M+HCOO]- 306.08054 171.5
[M+CH3COO]- 320.09619 185.7
[M+Na-2H]- 282.05701 158.8
[M]+ 261.08179 155.1
[M]- 261.08289 155.1
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.