CID 46739688

1218789-55-9

Structural Information

Molecular Formula
C13H22BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(S2)C(C)C)C
InChI
InChI=1S/C13H22BNO2S/c1-8(2)11-15-9(3)10(18-11)14-16-12(4,5)13(6,7)17-14/h8H,1-7H3
InChIKey
JLEUVXUJQARRSX-UHFFFAOYSA-N
Compound name
4-methyl-2-propan-2-yl-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

4
Patents

267.14642 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15370 159.0
[M+Na]+ 290.13564 169.3
[M+NH4]+ 285.18024 169.7
[M+K]+ 306.10958 163.1
[M-H]- 266.13914 163.6
[M+Na-2H]- 288.12109 164.3
[M]+ 267.14587 162.6
[M]- 267.14697 162.6
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