CID 12131901

N-methyl-4-sulfanylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

167.04048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.047756 132.3
[M+Na]+ 190.029698 140.4
[M-H]- 166.033204 136.5
[M+NH4]+ 185.074303 153.3
[M+K]+ 206.003638 137.9
[M+H-H2O]+ 150.037740 126.6
[M+HCOO]- 212.038681 152.2
[M+CH3COO]- 226.054331 179.3
[M+Na-2H]- 188.015146 136.2
[M]+ 167.03993142 133.6
[M]- 167.04102858 133.6
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