CID 3034997

Ethanethioamide, n-(4-methoxy-3-methylphenyl)-

Structural Information

Molecular Formula
C10H13NOS
SMILES
CC1=C(C=CC(=C1)NC(=S)C)OC
InChI
InChI=1S/C10H13NOS/c1-7-6-9(11-8(2)13)4-5-10(7)12-3/h4-6H,1-3H3,(H,11,13)
InChIKey
DFJIUBHOKGQVPY-UHFFFAOYSA-N
Compound name
N-(4-methoxy-3-methylphenyl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

195.0718 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07908 142.5
[M+Na]+ 218.06102 154.3
[M+NH4]+ 213.10562 151.4
[M+K]+ 234.03496 146.0
[M-H]- 194.06452 145.4
[M+Na-2H]- 216.04647 148.4
[M]+ 195.07125 145.4
[M]- 195.07235 145.4
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