CID 66520975

2223027-29-8

Structural Information

Molecular Formula
C12H18BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(S2)C(=O)OC)C
InChI
InChI=1S/C12H18BNO4S/c1-7-8(19-9(14-7)10(15)16-6)13-17-11(2,3)12(4,5)18-13/h1-6H3
InChIKey
LVQBKDHTKQPRMW-UHFFFAOYSA-N
Compound name
methyl 4-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

283.10495 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11223 160.9
[M+Na]+ 306.09417 170.6
[M+NH4]+ 301.13877 170.4
[M+K]+ 322.06811 165.5
[M-H]- 282.09767 164.3
[M+Na-2H]- 304.07962 165.6
[M]+ 283.10440 164.0
[M]- 283.10550 164.0
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.