CID 124756

N-methylthiobenzamide s-oxide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

167.04048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.047756 132.5
[M+Na]+ 190.029698 140.1
[M-H]- 166.033204 136.4
[M+NH4]+ 185.074303 153.3
[M+K]+ 206.003638 137.0
[M+H-H2O]+ 150.037740 126.7
[M+HCOO]- 212.038681 152.6
[M+CH3COO]- 226.054331 176.7
[M+Na-2H]- 188.015146 137.0
[M]+ 167.03993142 132.6
[M]- 167.04102858 132.6
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

No patent data available for this compound.