CID 3034157

N-(4-methoxyphenyl)ethanethioamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

181.05614 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06342 137.9
[M+Na]+ 204.04536 149.6
[M+NH4]+ 199.08996 147.0
[M+K]+ 220.01930 141.4
[M-H]- 180.04886 140.9
[M+Na-2H]- 202.03081 144.4
[M]+ 181.05559 140.9
[M]- 181.05669 140.9
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