CID 12744609

2751615-30-0

Structural Information

Molecular Formula

C₁₁H₁₅NO₂S

SMILES

C1CCC(C1)S(=O)(=O)C2=CC=CC(=C2)N

InChI

InChI=1S/C11H15NO2S/c12-9-4-3-7-11(8-9)15(13,14)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,12H2

InChIKey

LAQAMRJFXNMGOQ-UHFFFAOYSA-N

Compound name

3-cyclopentylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 225.08235 Da
Monoisotopic Mass: 1.7
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]+	226.089626	149.2
[M+Na]+	248.071568	156.3
[M-H]-	224.075074	155.5
[M+NH4]+	243.116173	169.1
[M+K]+	264.045508	152.7
[M+H-H2O]+	208.079610	143.4
[M+HCOO]-	270.080551	167.0
[M+CH3COO]-	284.096201	185.5
[M+Na-2H]-	246.057016	151.0
[M]+	225.08180142	147.3
[M]-	225.08289858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe