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]+ 168.04776 132.5
[M+Na]+ 190.02970 140.1
[M-H]- 166.03320 136.4
[M+NH4]+ 185.07430 153.3
[M+K]+ 206.00364 137.0
[M+H-H2O]+ 150.03774 126.7
[M+HCOO]- 212.03868 152.6
[M+CH3COO]- 226.05433 176.7
[M+Na-2H]- 188.01515 137.0
[M]+ 167.03993 132.6
[M]- 167.04103 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.