CID 3063179

100056-22-2

Structural Information

Molecular Formula

C₁₁H₁₇NS

SMILES

CCCSC(CN)C1=CC=CC=C1

InChI

InChI=1S/C11H17NS/c1-2-8-13-11(9-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9,12H2,1H3

InChIKey

NDQVUHRQBHVUJQ-UHFFFAOYSA-N

Compound name

2-phenyl-2-propylsulfanylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.10817 Da
Monoisotopic Mass: 2.4
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]+	196.11545	143.5
[M+Na]+	218.09739	154.6
[M+NH4]+	213.14199	153.0
[M+K]+	234.07133	145.5
[M-H]-	194.10089	147.0
[M+Na-2H]-	216.08284	149.9
[M]+	195.10762	146.5
[M]-	195.10872	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.