CID 4962329

852916-95-1

Structural Information

Molecular Formula
C11H13NO4S
SMILES
CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)O
InChI
InChI=1S/C11H13NO4S/c1-17(15,16)12-6-2-3-8-7-9(11(13)14)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKey
NIVCCCWZONRAOW-UHFFFAOYSA-N
Compound name
1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

255.05653 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06381 153.3
[M+Na]+ 278.04575 163.8
[M+NH4]+ 273.09035 160.0
[M+K]+ 294.01969 158.0
[M-H]- 254.04925 152.7
[M+Na-2H]- 276.03120 156.6
[M]+ 255.05598 154.9
[M]- 255.05708 154.9
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

patents stripe