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]+ 212.073976 145.4
[M+Na]+ 234.055918 151.1
[M-H]- 210.059424 151.8
[M+NH4]+ 229.100523 166.0
[M+K]+ 250.029858 149.8
[M+H-H2O]+ 194.063960 140.0
[M+HCOO]- 256.064901 161.6
[M+CH3COO]- 270.080551 182.5
[M+Na-2H]- 232.041366 147.7
[M]+ 211.06615142 142.8
[M]- 211.06724858 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.