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]+ 270.13298 154.1
[M+Na]+ 292.11492 163.8
[M-H]- 268.11842 161.9
[M+NH4]+ 287.15952 175.5
[M+K]+ 308.08886 165.0
[M+H-H2O]+ 252.12296 151.2
[M+HCOO]- 314.12390 169.5
[M+CH3COO]- 328.13955 195.5
[M+Na-2H]- 290.10037 155.2
[M]+ 269.12515 161.5
[M]- 269.12625 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.