CID 207823

Quinoline, 1,2-dihydro-1-methylsulfonyl-

Structural Information

Molecular Formula
C10H11NO2S
SMILES
CS(=O)(=O)N1CC=CC2=CC=CC=C21
InChI
InChI=1S/C10H11NO2S/c1-14(12,13)11-8-4-6-9-5-2-3-7-10(9)11/h2-7H,8H2,1H3
InChIKey
IESYQTXPSQWIGA-UHFFFAOYSA-N
Compound name
1-methylsulfonyl-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.05106 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05834 142.6
[M+Na]+ 232.04028 155.9
[M+NH4]+ 227.08488 151.6
[M+K]+ 248.01422 147.6
[M-H]- 208.04378 144.3
[M+Na-2H]- 230.02573 149.1
[M]+ 209.05051 145.5
[M]- 209.05161 145.5
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.