CID 86018121

816418-59-4

Structural Information

Molecular Formula

C₈H₁₁NO₂S

SMILES

COC1=CC=CC=C1S(=N)(=O)C

InChI

InChI=1S/C8H11NO2S/c1-11-7-5-3-4-6-8(7)12(2,9)10/h3-6,9H,1-2H3

InChIKey

BSTGEFDBACVVDH-UHFFFAOYSA-N

Compound name

imino-(2-methoxyphenyl)-methyl-oxo-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 185.05106 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	186.05834	138.2
[M+Na]+	208.04028	149.6
[M+NH4]+	203.08488	146.5
[M+K]+	224.01422	142.3
[M-H]-	184.04378	140.0
[M+Na-2H]-	206.02573	144.5
[M]+	185.05051	140.7
[M]-	185.05161	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe