CID 66521125

2223035-41-2

Structural Information

Molecular Formula
C11H18BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=CS2)CC
InChI
InChI=1S/C11H18BNO2S/c1-6-8-9(16-7-13-8)12-14-10(2,3)11(4,5)15-12/h7H,6H2,1-5H3
InChIKey
LELDFPNOLIQNHO-UHFFFAOYSA-N
Compound name
4-ethyl-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

239.11513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12241 146.0
[M+Na]+ 262.10435 156.6
[M-H]- 238.10785 153.9
[M+NH4]+ 257.14895 168.7
[M+K]+ 278.07829 157.1
[M+H-H2O]+ 222.11239 143.0
[M+HCOO]- 284.11333 162.6
[M+CH3COO]- 298.12898 189.6
[M+Na-2H]- 260.08980 148.3
[M]+ 239.11458 152.2
[M]- 239.11568 152.2
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.