CID 206584

Benzamide, 5-hydroxy-2-(3-(methylthio)propoxy)-

Structural Information

Molecular Formula

C₁₁H₁₅NO₃S

SMILES

CSCCCOC1=C(C=C(C=C1)O)C(=O)N

InChI

InChI=1S/C11H15NO3S/c1-16-6-2-5-15-10-4-3-8(13)7-9(10)11(12)14/h3-4,7,13H,2,5-6H2,1H3,(H2,12,14)

InChIKey

AQRMZIOFLVUBDO-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(3-methylsulfanylpropoxy)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.07727 Da
Monoisotopic Mass: 1.4
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]+	242.084546	152.5
[M+Na]+	264.066488	159.2
[M-H]-	240.069994	154.3
[M+NH4]+	259.111093	169.4
[M+K]+	280.040428	155.7
[M+H-H2O]+	224.074530	146.1
[M+HCOO]-	286.075471	169.6
[M+CH3COO]-	300.091121	191.2
[M+Na-2H]-	262.051936	152.9
[M]+	241.07672142	155.2
[M]-	241.07781858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.