CID 151161

2-(decylthio)ethanamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₂₇NS

SMILES

CCCCCCCCCCSCCN

InChI

InChI=1S/C12H27NS/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h2-13H2,1H3

InChIKey

OIWXLVBZDMAARO-UHFFFAOYSA-N

Compound name

2-decylsulfanylethanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 864
Patents: 217.18642 Da
Monoisotopic Mass: 4.4
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]+	218.19370	154.4
[M+Na]+	240.17564	162.5
[M+NH4]+	235.22024	162.4
[M+K]+	256.14958	152.9
[M-H]-	216.17914	155.1
[M+Na-2H]-	238.16109	156.4
[M]+	217.18587	156.0
[M]-	217.18697	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe