CID 3060085

2-thiophenecarboxamide, n-(2-oxotetrahydro-3-furyl)-

Structural Information

Molecular Formula
C9H9NO3S
SMILES
C1COC(=O)C1NC(=O)C2=CC=CS2
InChI
InChI=1S/C9H9NO3S/c11-8(7-2-1-5-14-7)10-6-3-4-13-9(6)12/h1-2,5-6H,3-4H2,(H,10,11)
InChIKey
OYCHNKSWYZRTLV-UHFFFAOYSA-N
Compound name
N-(2-oxooxolan-3-yl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.03032 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.037596 145.5
[M+Na]+ 234.019538 152.9
[M-H]- 210.023044 153.5
[M+NH4]+ 229.064143 166.6
[M+K]+ 249.993478 152.2
[M+H-H2O]+ 194.027580 140.5
[M+HCOO]- 256.028521 165.4
[M+CH3COO]- 270.044171 182.4
[M+Na-2H]- 232.004986 146.0
[M]+ 211.02977142 146.6
[M]- 211.03086858 146.6
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.