CID 20118189

2-(3-methoxyphenyl)thioacetamide

Structural Information

Molecular Formula
C9H11NOS
SMILES
COC1=CC=CC(=C1)CC(=S)N
InChI
InChI=1S/C9H11NOS/c1-11-8-4-2-3-7(5-8)6-9(10)12/h2-5H,6H2,1H3,(H2,10,12)
InChIKey
KMQKWJXEEQUMLD-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

181.05614 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06342 137.7
[M+Na]+ 204.04536 149.1
[M+NH4]+ 199.08996 146.6
[M+K]+ 220.01930 141.1
[M-H]- 180.04886 140.5
[M+Na-2H]- 202.03081 143.7
[M]+ 181.05559 140.5
[M]- 181.05669 140.5
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

patents stripe