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]+ 160.02342 128.1
[M+Na]+ 182.00536 137.1
[M-H]- 158.00886 128.6
[M+NH4]+ 177.04996 148.8
[M+K]+ 197.97930 135.7
[M+H-H2O]+ 142.01340 123.0
[M+HCOO]- 204.01434 144.9
[M+CH3COO]- 218.02999 168.1
[M+Na-2H]- 179.99081 130.1
[M]+ 159.01559 130.4
[M]- 159.01669 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.