CID 494371

Nsc617638

Structural Information

Molecular Formula

C₁₁H₁₅NO₃S

SMILES

C1CC(C(C1)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H15NO3S/c13-11-8-4-7-10(11)12-16(14,15)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2

InChIKey

TXFKVRQIVVQZGH-UHFFFAOYSA-N

Compound name

N-(2-hydroxycyclopentyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 241.07727 Da
Monoisotopic Mass: 1.2
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]+	242.08455	152.0
[M+Na]+	264.06649	158.4
[M-H]-	240.06999	157.4
[M+NH4]+	259.11109	170.6
[M+K]+	280.04043	154.8
[M+H-H2O]+	224.07453	146.3
[M+HCOO]-	286.07547	169.2
[M+CH3COO]-	300.09112	185.8
[M+Na-2H]-	262.05194	154.7
[M]+	241.07672	150.6
[M]-	241.07782	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe