CID 3564247

5-nitro-n-[(oxolan-2-yl)methyl]thiophene-2-carboxamide

Structural Information

Molecular Formula
C10H12N2O4S
SMILES
C1CC(OC1)CNC(=O)C2=CC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O4S/c13-10(11-6-7-2-1-5-16-7)8-3-4-9(17-8)12(14)15/h3-4,7H,1-2,5-6H2,(H,11,13)
InChIKey
NYPNLZQKDXZPCN-UHFFFAOYSA-N
Compound name
5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

256.0518 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05908 153.9
[M+Na]+ 279.04102 161.6
[M+NH4]+ 274.08562 161.2
[M+K]+ 295.01496 162.1
[M-H]- 255.04452 158.3
[M+Na-2H]- 277.02647 156.9
[M]+ 256.05125 156.2
[M]- 256.05235 156.2
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

No patent data available for this compound.