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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07398 154.9
[M+Na]+ 270.05592 161.9
[M-H]- 246.05942 160.6
[M+NH4]+ 265.10052 173.4
[M+K]+ 286.02986 157.5
[M+H-H2O]+ 230.06396 148.4
[M+HCOO]- 292.06490 174.4
[M+CH3COO]- 306.08055 189.5
[M+Na-2H]- 268.04137 156.3
[M]+ 247.06615 156.1
[M]- 247.06725 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.