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]+ 247.186386 151.5
[M+Na]+ 269.168328 161.3
[M-H]- 245.171834 160.5
[M+NH4]+ 264.212933 173.2
[M+K]+ 285.142268 161.1
[M+H-H2O]+ 229.176370 147.5
[M+HCOO]- 291.177311 172.0
[M+CH3COO]- 305.192961 196.1
[M+Na-2H]- 267.153776 156.4
[M]+ 246.17856142 155.8
[M]- 246.17965858 155.8
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