CID 106675

66104-32-3

Structural Information

Molecular Formula
C10H11NO2S
SMILES
CC(=O)NC1CCC(=O)C2=C1C=CS2
InChI
InChI=1S/C10H11NO2S/c1-6(12)11-8-2-3-9(13)10-7(8)4-5-14-10/h4-5,8H,2-3H2,1H3,(H,11,12)
InChIKey
RSZVADWXNPHYKP-UHFFFAOYSA-N
Compound name
N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

209.05106 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05834 144.3
[M+Na]+ 232.04028 153.8
[M+NH4]+ 227.08488 153.3
[M+K]+ 248.01422 148.0
[M-H]- 208.04378 146.3
[M+Na-2H]- 230.02573 147.7
[M]+ 209.05051 146.4
[M]- 209.05161 146.4
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

patents stripe