CID 51918

Acetamide, 2-(p-tolylthio)-

Structural Information

Molecular Formula
C9H11NOS
SMILES
CC1=CC=C(C=C1)SCC(=O)N
InChI
InChI=1S/C9H11NOS/c1-7-2-4-8(5-3-7)12-6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKey
OUXWFAJIPHIEII-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

181.05614 Da
Monoisotopic Mass

1.7
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