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 141.6
[M+Na]+ 232.04028 151.1
[M-H]- 208.04378 145.1
[M+NH4]+ 227.08488 160.9
[M+K]+ 248.01422 147.6
[M+H-H2O]+ 192.04832 135.7
[M+HCOO]- 254.04926 157.2
[M+CH3COO]- 268.06491 182.5
[M+Na-2H]- 230.02573 148.6
[M]+ 209.05051 143.5
[M]- 209.05161 143.5
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.