CID 64789

6-aminosaccharin

Structural Information

Molecular Formula

C₇H₆N₂O₃S

SMILES

C1=CC2=C(C=C1N)S(=O)(=O)NC2=O

InChI

InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)

InChIKey

SSRKZHLPNHLAKM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 164
Patents: 198.00992 Da
Monoisotopic Mass: 0.2
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]+	199.01720	137.9
[M+Na]+	220.99914	148.1
[M+NH4]+	216.04374	146.6
[M+K]+	236.97308	141.8
[M-H]-	197.00264	138.0
[M+Na-2H]-	218.98459	142.5
[M]+	198.00937	139.6
[M]-	198.01047	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe