CID 44237117

Chebi:133389

Structural Information

Molecular Formula

C₁₀H₂₁NOS₂

SMILES

CSCCCCCCCCC(=S)NO

InChI

InChI=1S/C10H21NOS2/c1-14-9-7-5-3-2-4-6-8-10(13)11-12/h12H,2-9H2,1H3,(H,11,13)

InChIKey

XVYHPPOLIATKBU-UHFFFAOYSA-N

Compound name

N-hydroxy-9-methylsulfanylnonanethioamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 235.10646 Da
Monoisotopic Mass: 2.9
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]+	236.11374	152.6
[M+Na]+	258.09568	156.5
[M-H]-	234.09918	150.2
[M+NH4]+	253.14028	169.8
[M+K]+	274.06962	151.5
[M+H-H2O]+	218.10372	146.3
[M+HCOO]-	280.10466	162.2
[M+CH3COO]-	294.12031	191.2
[M+Na-2H]-	256.08113	150.7
[M]+	235.10591	155.1
[M]-	235.10701	155.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.