CID 762762

15386-52-4

Structural Information

Molecular Formula

C₉H₈N₂O₂S

SMILES

C1=CC(=C(C=C1C2=CSC(=N2)N)O)O

InChI

InChI=1S/C9H8N2O2S/c10-9-11-6(4-14-9)5-1-2-7(12)8(13)3-5/h1-4,12-13H,(H2,10,11)

InChIKey

BXERITWATISKIF-UHFFFAOYSA-N

Compound name

4-(2-amino-1,3-thiazol-4-yl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
Patents: 208.03065 Da
Monoisotopic Mass: 1.6
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]+	209.03793	142.0
[M+Na]+	231.01987	153.6
[M+NH4]+	226.06447	150.1
[M+K]+	246.99381	148.4
[M-H]-	207.02337	144.8
[M+Na-2H]-	229.00532	148.2
[M]+	208.03010	144.7
[M]-	208.03120	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe