CID 133550848

4-(iso-propyl)-2-ethoxythiazole-5-boronic acid pinacol ester

Structural Information

Molecular Formula
C14H24BNO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(S2)OCC)C(C)C
InChI
InChI=1S/C14H24BNO3S/c1-8-17-12-16-10(9(2)3)11(20-12)15-18-13(4,5)14(6,7)19-15/h9H,8H2,1-7H3
InChIKey
AXLCQLWSNBVHKH-UHFFFAOYSA-N
Compound name
2-ethoxy-4-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.15698 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16426 161.6
[M+Na]+ 320.14620 171.2
[M-H]- 296.14970 169.4
[M+NH4]+ 315.19080 182.2
[M+K]+ 336.12014 172.0
[M+H-H2O]+ 280.15424 158.8
[M+HCOO]- 342.15518 176.3
[M+CH3COO]- 356.17083 202.6
[M+Na-2H]- 318.13165 161.4
[M]+ 297.15643 170.2
[M]- 297.15753 170.2
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.