CID 16946

2385-93-5

Structural Information

Molecular Formula

C₁₂H₁₇NO₂S

SMILES

CCCCSC1=CC=C(C=C1)CC(=O)NO

InChI

InChI=1S/C12H17NO2S/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)

InChIKey

PWCXFVBAQLRQEN-UHFFFAOYSA-N

Compound name

2-(4-butylsulfanylphenyl)-N-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.098 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]+	240.10528	153.8
[M+Na]+	262.08722	159.5
[M-H]-	238.09072	155.7
[M+NH4]+	257.13182	171.0
[M+K]+	278.06116	155.6
[M+H-H2O]+	222.09526	147.3
[M+HCOO]-	284.09620	171.1
[M+CH3COO]-	298.11185	190.9
[M+Na-2H]-	260.07267	155.3
[M]+	239.09745	156.1
[M]-	239.09855	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe