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 155.4
[M+Na]+ 306.09417 166.0
[M-H]- 282.09767 163.5
[M+NH4]+ 301.13877 176.3
[M+K]+ 322.06811 167.1
[M+H-H2O]+ 266.10221 152.9
[M+HCOO]- 328.10315 171.1
[M+CH3COO]- 342.11880 197.4
[M+Na-2H]- 304.07962 156.4
[M]+ 283.10440 163.9
[M]- 283.10550 163.9
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.