CID 121553175

(3-methoxy-1,2-thiazol-5-yl)boronic acid

Structural Information

Molecular Formula
C4H6BNO3S
SMILES
B(C1=CC(=NS1)OC)(O)O
InChI
InChI=1S/C4H6BNO3S/c1-9-4-2-3(5(7)8)10-6-4/h2,7-8H,1H3
InChIKey
CNKSRAACQREZFL-UHFFFAOYSA-N
Compound name
(3-methoxy-1,2-thiazol-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.01614 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.023416 128.1
[M+Na]+ 182.005358 137.1
[M-H]- 158.008864 128.6
[M+NH4]+ 177.049963 148.8
[M+K]+ 197.979298 135.7
[M+H-H2O]+ 142.013400 123.0
[M+HCOO]- 204.014341 144.9
[M+CH3COO]- 218.029991 168.1
[M+Na-2H]- 179.990806 130.1
[M]+ 159.01559142 130.4
[M]- 159.01668858 130.4
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

No patent data available for this compound.