CID 138991289

2408429-93-4

Structural Information

Molecular Formula
C13H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(O2)C(C)(C)C
InChI
InChI=1S/C13H22BNO3/c1-11(2,3)10-15-8-9(16-10)14-17-12(4,5)13(6,7)18-14/h8H,1-7H3
InChIKey
ICFGDNXEZDUUBC-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17656 150.3
[M+Na]+ 274.15850 160.0
[M-H]- 250.16200 158.5
[M+NH4]+ 269.20310 170.6
[M+K]+ 290.13244 162.3
[M+H-H2O]+ 234.16654 147.8
[M+HCOO]- 296.16748 168.5
[M+CH3COO]- 310.18313 194.1
[M+Na-2H]- 272.14395 156.5
[M]+ 251.16873 156.2
[M]- 251.16983 156.2
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.