CID 2736136

5-(methylsulfonyl)indoline

Structural Information

Molecular Formula

C₉H₁₁NO₂S

SMILES

CS(=O)(=O)C1=CC2=C(C=C1)NCC2

InChI

InChI=1S/C9H11NO2S/c1-13(11,12)8-2-3-9-7(6-8)4-5-10-9/h2-3,6,10H,4-5H2,1H3

InChIKey

OFYOHQMIBTVTKY-UHFFFAOYSA-N

Compound name

5-methylsulfonyl-2,3-dihydro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 136
Patents: 197.05106 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.05834	141.1
[M+Na]+	220.04028	151.9
[M+NH4]+	215.08488	149.5
[M+K]+	236.01422	146.4
[M-H]-	196.04378	141.3
[M+Na-2H]-	218.02573	145.2
[M]+	197.05051	143.0
[M]-	197.05161	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe