CID 10822413

1026295-49-7

Structural Information

Molecular Formula

C₈H₈N₂O₃S

SMILES

CN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)N

InChI

InChI=1S/C8H8N2O3S/c1-10-8(11)6-3-2-5(9)4-7(6)14(10,12)13/h2-4H,9H2,1H3

InChIKey

BTNFTHAQDYEURG-UHFFFAOYSA-N

Compound name

6-amino-2-methyl-1,1-dioxo-1,2-benzothiazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 212.02556 Da
Monoisotopic Mass: -0.1
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]+	213.03284	138.3
[M+Na]+	235.01478	150.9
[M-H]-	211.01828	142.6
[M+NH4]+	230.05938	161.3
[M+K]+	250.98872	147.4
[M+H-H2O]+	195.02282	134.0
[M+HCOO]-	257.02376	157.4
[M+CH3COO]-	271.03941	184.8
[M+Na-2H]-	233.00023	142.3
[M]+	212.02501	141.5
[M]-	212.02611	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe