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]+ 257.059076 157.4
[M+Na]+ 279.041018 161.8
[M-H]- 255.044524 164.7
[M+NH4]+ 274.085623 175.2
[M+K]+ 295.014958 157.1
[M+H-H2O]+ 239.049060 155.9
[M+HCOO]- 301.050001 177.2
[M+CH3COO]- 315.065651 185.4
[M+Na-2H]- 277.026466 159.5
[M]+ 256.05125142 155.9
[M]- 256.05234858 155.9
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.