CID 133677996

2-(4-ethyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CC)C
InChI
InChI=1S/C15H23BO2/c1-7-12-8-9-13(11(2)10-12)16-17-14(3,4)15(5,6)18-16/h8-10H,7H2,1-6H3
InChIKey
AVCNWVCNOUSFEJ-UHFFFAOYSA-N
Compound name
2-(4-ethyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

246.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18639 153.7
[M+Na]+ 269.16833 167.0
[M+NH4]+ 264.21293 165.3
[M+K]+ 285.14227 159.0
[M-H]- 245.17183 160.3
[M+Na-2H]- 267.15378 162.0
[M]+ 246.17856 158.0
[M]- 246.17966 158.0
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