CID 289475

4'-(methylthio)acetanilide

Structural Information

Molecular Formula
C9H11NOS
SMILES
CC(=O)NC1=CC=C(C=C1)SC
InChI
InChI=1S/C9H11NOS/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
InChIKey
IYTZTJQAOQJQGD-UHFFFAOYSA-N
Compound name
N-(4-methylsulfanylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

181.05614 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.063416 136.8
[M+Na]+ 204.045358 144.5
[M-H]- 180.048864 140.9
[M+NH4]+ 199.089963 157.3
[M+K]+ 220.019298 141.8
[M+H-H2O]+ 164.053400 130.9
[M+HCOO]- 226.054341 156.4
[M+CH3COO]- 240.069991 182.4
[M+Na-2H]- 202.030806 140.2
[M]+ 181.05559142 138.5
[M]- 181.05668858 138.5
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