CID 531922

Thiophene-2-carboxamide, n-tetrahydrofurfuryl-

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

C1CC(OC1)CNC(=O)C2=CC=CS2

InChI

InChI=1S/C10H13NO2S/c12-10(9-4-2-6-14-9)11-7-8-3-1-5-13-8/h2,4,6,8H,1,3,5,7H2,(H,11,12)

InChIKey

ZVEOKBMFOXDDJU-UHFFFAOYSA-N

Compound name

N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 1
Patents: 211.0667 Da
Monoisotopic Mass: 1.6
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]+	212.073976	147.7
[M+Na]+	234.055918	153.7
[M-H]-	210.059424	155.1
[M+NH4]+	229.100523	168.6
[M+K]+	250.029858	153.0
[M+H-H2O]+	194.063960	142.2
[M+HCOO]-	256.064901	166.9
[M+CH3COO]-	270.080551	183.0
[M+Na-2H]-	232.041366	148.1
[M]+	211.06615142	148.0
[M]-	211.06724858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe