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]+ 210.058336 141.6
[M+Na]+ 232.040278 151.1
[M-H]- 208.043784 145.1
[M+NH4]+ 227.084883 160.9
[M+K]+ 248.014218 147.6
[M+H-H2O]+ 192.048320 135.7
[M+HCOO]- 254.049261 157.2
[M+CH3COO]- 268.064911 182.5
[M+Na-2H]- 230.025726 148.6
[M]+ 209.05051142 143.5
[M]- 209.05160858 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.