CID 45480318

Thiazol-4-ylboronic acid

Structural Information

Molecular Formula

C₃H₄BNO₂S

SMILES

B(C1=CSC=N1)(O)O

InChI

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

InChIKey

WSTDOIHBEOVTHX-UHFFFAOYSA-N

Compound name

1,3-thiazol-4-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
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	122.1
[M+Na]+	151.99480	131.8
[M+NH4]+	147.03940	130.3
[M+K]+	167.96874	127.9
[M-H]-	127.99830	121.8
[M+Na-2H]-	149.98025	126.2
[M]+	129.00503	123.6
[M]-	129.00613	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe