CID 20118472

2-(2-methylphenyl)ethanethioamide

Structural Information

Molecular Formula
C9H11NS
SMILES
CC1=CC=CC=C1CC(=S)N
InChI
InChI=1S/C9H11NS/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKey
XARPLOUJCCVEJY-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

165.06122 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.068496 133.4
[M+Na]+ 188.050438 141.1
[M-H]- 164.053944 136.9
[M+NH4]+ 183.095043 154.2
[M+K]+ 204.024378 137.5
[M+H-H2O]+ 148.058480 127.7
[M+HCOO]- 210.059421 152.0
[M+CH3COO]- 224.075071 180.4
[M+Na-2H]- 186.035886 135.7
[M]+ 165.06067142 132.7
[M]- 165.06176858 132.7
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