CID 16946

Brn 2646849

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: 2
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]+	240.105276	153.8
[M+Na]+	262.087218	159.5
[M-H]-	238.090724	155.7
[M+NH4]+	257.131823	171.0
[M+K]+	278.061158	155.6
[M+H-H2O]+	222.095260	147.3
[M+HCOO]-	284.096201	171.1
[M+CH3COO]-	298.111851	190.9
[M+Na-2H]-	260.072666	155.3
[M]+	239.09745142	156.1
[M]-	239.09854858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe