CID 28819332

4-(cyclopentylsulfanyl)aniline hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NS

SMILES

C1CCC(C1)SC2=CC=C(C=C2)N

InChI

InChI=1S/C11H15NS/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10H,1-4,12H2

InChIKey

OBTFPHQRXXYKIM-UHFFFAOYSA-N

Compound name

4-cyclopentylsulfanylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.09251 Da
Monoisotopic Mass: 3.0
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]+	194.099786	141.7
[M+Na]+	216.081728	148.3
[M-H]-	192.085234	147.8
[M+NH4]+	211.126333	163.0
[M+K]+	232.055668	144.5
[M+H-H2O]+	176.089770	135.6
[M+HCOO]-	238.090711	160.3
[M+CH3COO]-	252.106361	154.5
[M+Na-2H]-	214.067176	142.5
[M]+	193.09196142	138.8
[M]-	193.09305858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe