CID 3056603

73812-23-4

Structural Information

Molecular Formula
C10H13NO2S
SMILES
C1COCCC1(C2=CSC=C2)C(=O)N
InChI
InChI=1S/C10H13NO2S/c11-9(12)10(2-4-13-5-3-10)8-1-6-14-7-8/h1,6-7H,2-5H2,(H2,11,12)
InChIKey
IQHNESWEPWRJAA-UHFFFAOYSA-N
Compound name
4-thiophen-3-yloxane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0667 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 145.4
[M+Na]+ 234.05592 151.1
[M-H]- 210.05942 151.8
[M+NH4]+ 229.10052 166.0
[M+K]+ 250.02986 149.8
[M+H-H2O]+ 194.06396 140.0
[M+HCOO]- 256.06490 161.6
[M+CH3COO]- 270.08055 182.5
[M+Na-2H]- 232.04137 147.7
[M]+ 211.06615 142.8
[M]- 211.06725 142.8
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.