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]+	196.115446	143.2
[M+Na]+	218.097388	148.9
[M-H]-	194.100894	146.5
[M+NH4]+	213.141993	162.9
[M+K]+	234.071328	145.8
[M+H-H2O]+	178.105430	136.8
[M+HCOO]-	240.106371	161.7
[M+CH3COO]-	254.122021	186.9
[M+Na-2H]-	216.082836	146.2
[M]+	195.10762142	144.6
[M]-	195.10871858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe