CID 45786315

1310404-96-6

Structural Information

Molecular Formula
C10H16BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CSC(=N2)C
InChI
InChI=1S/C10H16BNO2S/c1-7-12-8(6-15-7)11-13-9(2,3)10(4,5)14-11/h6H,1-5H3
InChIKey
DRRASGOKAVZCPI-UHFFFAOYSA-N
Compound name
2-methyl-4-(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

50
Patents

225.09949 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.106766 141.5
[M+Na]+ 248.088708 152.6
[M-H]- 224.092214 149.6
[M+NH4]+ 243.133313 164.9
[M+K]+ 264.062648 153.3
[M+H-H2O]+ 208.096750 138.7
[M+HCOO]- 270.097691 158.4
[M+CH3COO]- 284.113341 186.7
[M+Na-2H]- 246.074156 144.3
[M]+ 225.09894142 147.4
[M]- 225.10003858 147.4
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

patents stripe