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 143.5
[M+Na]+ 232.04028 151.3
[M-H]- 208.04378 148.2
[M+NH4]+ 227.08488 165.7
[M+K]+ 248.01422 148.5
[M+H-H2O]+ 192.04832 138.6
[M+HCOO]- 254.04926 161.1
[M+CH3COO]- 268.06491 185.8
[M+Na-2H]- 230.02573 145.2
[M]+ 209.05051 143.9
[M]- 209.05161 143.9
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