CID 4525601

20054-45-9

Structural Information

Molecular Formula
C8H9NOS
SMILES
CNC(=O)C1=CC=CC=C1S
InChI
InChI=1S/C8H9NOS/c1-9-8(10)6-4-2-3-5-7(6)11/h2-5,11H,1H3,(H,9,10)
InChIKey
VIFOAZNEQRHREM-UHFFFAOYSA-N
Compound name
N-methyl-2-sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

167.04048 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04776 133.6
[M+Na]+ 190.02970 145.5
[M+NH4]+ 185.07430 142.8
[M+K]+ 206.00364 137.4
[M-H]- 166.03320 136.6
[M+Na-2H]- 188.01515 140.3
[M]+ 167.03993 136.5
[M]- 167.04103 136.5
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