CID 112756543

2243254-46-6

Structural Information

Molecular Formula
C17H27BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(C)(C)C)C
InChI
InChI=1S/C17H27BO2/c1-12-11-13(15(2,3)4)9-10-14(12)18-19-16(5,6)17(7,8)20-18/h9-11H,1-8H3
InChIKey
SZJWXXGTSZCNMN-UHFFFAOYSA-N
Compound name
2-(4-tert-butyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

274.21042 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21770 161.4
[M+Na]+ 297.19964 174.0
[M+NH4]+ 292.24424 172.4
[M+K]+ 313.17358 166.8
[M-H]- 273.20314 167.3
[M+Na-2H]- 295.18509 169.3
[M]+ 274.20987 165.5
[M]- 274.21097 165.5
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