CID 46739688

2-isopropyl-4-methylthiazole-5-boronic acid, pinacol ester

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 153.8
[M+Na]+ 290.13564 164.1
[M-H]- 266.13914 161.8
[M+NH4]+ 285.18024 175.7
[M+K]+ 306.10958 164.5
[M+H-H2O]+ 250.14368 151.1
[M+HCOO]- 312.14462 168.6
[M+CH3COO]- 326.16027 197.6
[M+Na-2H]- 288.12109 153.7
[M]+ 267.14587 160.6
[M]- 267.14697 160.6
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