CID 79924

Brn 1738490

Structural Information

Molecular Formula

C₁₀H₂₃NS

SMILES

CC(C)CN(CCS)CC(C)C

InChI

InChI=1S/C10H23NS/c1-9(2)7-11(5-6-12)8-10(3)4/h9-10,12H,5-8H2,1-4H3

InChIKey

ZTEXJPYHNKPYFC-UHFFFAOYSA-N

Compound name

2-[bis(2-methylpropyl)amino]ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 189.15512 Da
Monoisotopic Mass: 3.2
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]+	190.16240	147.3
[M+Na]+	212.14434	151.6
[M-H]-	188.14784	148.6
[M+NH4]+	207.18894	168.0
[M+K]+	228.11828	151.5
[M+H-H2O]+	172.15238	141.3
[M+HCOO]-	234.15332	163.5
[M+CH3COO]-	248.16897	193.2
[M+Na-2H]-	210.12979	146.0
[M]+	189.15457	151.3
[M]-	189.15567	151.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.