CID 45785794

1352652-22-2

Structural Information

Molecular Formula
C12H20BNO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)OC(C)C
InChI
InChI=1S/C12H20BNO3S/c1-8(2)15-10-14-7-9(18-10)13-16-11(3,4)12(5,6)17-13/h7-8H,1-6H3
InChIKey
KGNZRFJWPICBLG-UHFFFAOYSA-N
Compound name
2-propan-2-yloxy-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

269.1257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.132976 154.1
[M+Na]+ 292.114918 163.8
[M-H]- 268.118424 161.9
[M+NH4]+ 287.159523 175.5
[M+K]+ 308.088858 165.0
[M+H-H2O]+ 252.122960 151.2
[M+HCOO]- 314.123901 169.5
[M+CH3COO]- 328.139551 195.5
[M+Na-2H]- 290.100366 155.2
[M]+ 269.12515142 161.5
[M]- 269.12624858 161.5
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.