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

2
Patents

211.0667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 147.7
[M+Na]+ 234.05592 153.7
[M-H]- 210.05942 155.1
[M+NH4]+ 229.10052 168.6
[M+K]+ 250.02986 153.0
[M+H-H2O]+ 194.06396 142.2
[M+HCOO]- 256.06490 166.9
[M+CH3COO]- 270.08055 183.0
[M+Na-2H]- 232.04137 148.1
[M]+ 211.06615 148.0
[M]- 211.06725 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe