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

70
Patents

129.00558 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.012856 121.1
[M+Na]+ 151.994798 129.8
[M-H]- 127.998304 121.4
[M+NH4]+ 147.039403 142.8
[M+K]+ 167.968738 128.2
[M+H-H2O]+ 112.002840 116.1
[M+HCOO]- 174.003781 138.0
[M+CH3COO]- 188.019431 161.9
[M+Na-2H]- 149.980246 124.1
[M]+ 129.00503142 121.1
[M]- 129.00612858 121.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe