CID 22240135

Dtxsid90623707

Structural Information

Molecular Formula
C15H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(C)C
InChI
InChI=1S/C15H23BO2/c1-11(2)12-8-7-9-13(10-12)16-17-14(3,4)15(5,6)18-16/h7-11H,1-6H3
InChIKey
ORRCXIHAXGJPNU-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-propan-2-ylphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

246.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18639 153.2
[M+Na]+ 269.16833 161.6
[M-H]- 245.17183 161.8
[M+NH4]+ 264.21293 174.4
[M+K]+ 285.14227 162.0
[M+H-H2O]+ 229.17637 149.0
[M+HCOO]- 291.17731 172.6
[M+CH3COO]- 305.19296 195.8
[M+Na-2H]- 267.15378 157.3
[M]+ 246.17856 156.4
[M]- 246.17966 156.4
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