CID 209754

2-(d-amphetamino)ethanethiol

Structural Information

Molecular Formula

C₁₁H₁₇NS

SMILES

CC(CC1=CC=CC=C1)NCCS

InChI

InChI=1S/C11H17NS/c1-10(12-7-8-13)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3

InChIKey

GKRABYJWCXOEQF-UHFFFAOYSA-N

Compound name

2-(1-phenylpropan-2-ylamino)ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.10817 Da
Monoisotopic Mass: 2.5
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]+	196.11545	143.6
[M+Na]+	218.09739	154.9
[M+NH4]+	213.14199	153.2
[M+K]+	234.07133	145.6
[M-H]-	194.10089	147.2
[M+Na-2H]-	216.08284	150.4
[M]+	195.10762	146.7
[M]-	195.10872	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe