CID 60630096

N-[3-(hydroxymethyl)phenyl]-2-(thiophen-3-yl)acetamide

Structural Information

Molecular Formula

C₁₃H₁₃NO₂S

SMILES

C1=CC(=CC(=C1)NC(=O)CC2=CSC=C2)CO

InChI

InChI=1S/C13H13NO2S/c15-8-10-2-1-3-12(6-10)14-13(16)7-11-4-5-17-9-11/h1-6,9,15H,7-8H2,(H,14,16)

InChIKey

QKSUJKJCMDHODJ-UHFFFAOYSA-N

Compound name

N-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.0667 Da
Monoisotopic Mass: 1.5
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]+	248.073976	154.9
[M+Na]+	270.055918	161.9
[M-H]-	246.059424	160.6
[M+NH4]+	265.100523	173.4
[M+K]+	286.029858	157.5
[M+H-H2O]+	230.063960	148.4
[M+HCOO]-	292.064901	174.4
[M+CH3COO]-	306.080551	189.5
[M+Na-2H]-	268.041366	156.3
[M]+	247.06615142	156.1
[M]-	247.06724858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.