CID 217524

38920-57-9

Structural Information

Molecular Formula

C₁₁H₂₃NS

SMILES

C1CCC(CC1)CCCNCCS

InChI

InChI=1S/C11H23NS/c13-10-9-12-8-4-7-11-5-2-1-3-6-11/h11-13H,1-10H2

InChIKey

KZANQIANAOMIHI-UHFFFAOYSA-N

Compound name

2-(3-cyclohexylpropylamino)ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.15512 Da
Monoisotopic Mass: 3.5
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]+	202.16240	147.2
[M+Na]+	224.14434	156.1
[M+NH4]+	219.18894	156.8
[M+K]+	240.11828	146.6
[M-H]-	200.14784	150.5
[M+Na-2H]-	222.12979	151.7
[M]+	201.15457	149.7
[M]-	201.15567	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.