CID 66520581

2096331-12-1

Structural Information

Molecular Formula
C10H16BNO2S2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)SC
InChI
InChI=1S/C10H16BNO2S2/c1-9(2)10(3,4)14-11(13-9)7-6-12-8(15-5)16-7/h6H,1-5H3
InChIKey
ORGOIJMFZHZANS-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-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

257.07156 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07884 146.8
[M+Na]+ 280.06078 158.1
[M-H]- 256.06428 154.5
[M+NH4]+ 275.10538 169.1
[M+K]+ 296.03472 157.9
[M+H-H2O]+ 240.06882 144.6
[M+HCOO]- 302.06976 158.6
[M+CH3COO]- 316.08541 161.0
[M+Na-2H]- 278.04623 148.0
[M]+ 257.07101 153.7
[M]- 257.07211 153.7
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.