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 157.4
[M+Na]+ 279.04102 161.8
[M-H]- 255.04452 164.7
[M+NH4]+ 274.08562 175.2
[M+K]+ 295.01496 157.1
[M+H-H2O]+ 239.04906 155.9
[M+HCOO]- 301.05000 177.2
[M+CH3COO]- 315.06565 185.4
[M+Na-2H]- 277.02647 159.5
[M]+ 256.05125 155.9
[M]- 256.05235 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.