CID 45121658

942190-81-0

Structural Information

Molecular Formula

C₃H₄BNO₂S

SMILES

B(C1=CN=CS1)(O)O

InChI

InChI=1S/C3H4BNO2S/c6-4(7)3-1-5-2-8-3/h1-2,6-7H

InChIKey

OPMGYPOENUJLEM-UHFFFAOYSA-N

Compound name

1,3-thiazol-5-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 129.00558 Da
Monoisotopic Mass: None
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]+	130.01286	121.1
[M+Na]+	151.99480	129.8
[M-H]-	127.99830	121.4
[M+NH4]+	147.03940	142.8
[M+K]+	167.96874	128.2
[M+H-H2O]+	112.00284	116.1
[M+HCOO]-	174.00378	138.0
[M+CH3COO]-	188.01943	161.9
[M+Na-2H]-	149.98025	124.1
[M]+	129.00503	121.1
[M]-	129.00613	121.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe