CID 1206243

(z)-mirin

Structural Information

Molecular Formula

C₁₀H₈N₂O₂S

SMILES

C1=CC(=CC=C1/C=C\2/C(=O)N=C(S2)N)O

InChI

InChI=1S/C10H8N2O2S/c11-10-12-9(14)8(15-10)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5-

InChIKey

YBHQCJILTOVLHD-YVMONPNESA-N

Compound name

(5Z)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 220.03065 Da
Monoisotopic Mass: 1.5
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]+	221.03793	147.0
[M+Na]+	243.01987	158.1
[M+NH4]+	238.06447	154.7
[M+K]+	258.99381	152.4
[M-H]-	219.02337	149.6
[M+Na-2H]-	241.00532	152.4
[M]+	220.03010	149.5
[M]-	220.03120	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe