CID 13589902

2-amino-4,5-dimethoxybenzenethiol

Structural Information

Molecular Formula

C₈H₁₁NO₂S

SMILES

COC1=C(C=C(C(=C1)N)S)OC

InChI

InChI=1S/C8H11NO2S/c1-10-6-3-5(9)8(12)4-7(6)11-2/h3-4,12H,9H2,1-2H3

InChIKey

FWNRXBFADOUSBR-UHFFFAOYSA-N

Compound name

2-amino-4,5-dimethoxybenzenethiol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 185.05106 Da
Monoisotopic Mass: 1.3
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	137.1
[M+Na]+	208.04028	149.3
[M+NH4]+	203.08488	146.0
[M+K]+	224.01422	141.7
[M-H]-	184.04378	140.0
[M+Na-2H]-	206.02573	142.9
[M]+	185.05051	140.1
[M]-	185.05161	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe