CID 66520399

1393827-96-7

Structural Information

Molecular Formula
C11H16BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)C(=O)OC
InChI
InChI=1S/C11H16BNO4S/c1-10(2)11(3,4)17-12(16-10)7-6-13-8(18-7)9(14)15-5/h6H,1-5H3
InChIKey
OJXGGKMCYIAXHB-UHFFFAOYSA-N
Compound name
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0893 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.096576 152.3
[M+Na]+ 292.078518 162.5
[M-H]- 268.082024 160.3
[M+NH4]+ 287.123123 173.6
[M+K]+ 308.052458 164.0
[M+H-H2O]+ 252.086560 149.6
[M+HCOO]- 314.087501 168.4
[M+CH3COO]- 328.103151 193.2
[M+Na-2H]- 290.063966 154.2
[M]+ 269.08875142 160.1
[M]- 269.08984858 160.1
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.