CID 56973224

356570-54-2

Structural Information

Molecular Formula
C15H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C15H23BO2/c1-11-7-12(2)9-13(8-11)10-16-17-14(3,4)15(5,6)18-16/h7-9H,10H2,1-6H3
InChIKey
PPGGXAAJXNQIOQ-UHFFFAOYSA-N
Compound name
2-[(3,5-dimethylphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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

literature stripe

Patent stripe

patents stripe