CID 23445024

445303-13-9

Structural Information

Molecular Formula
C15H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CCC3)C=C2
InChI
InChI=1S/C15H21BO2/c1-14(2)15(3,4)18-16(17-14)13-9-8-11-6-5-7-12(11)10-13/h8-10H,5-7H2,1-4H3
InChIKey
OTCOGJNOBVQVOH-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

244.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.17075 152.9
[M+Na]+ 267.15269 162.1
[M-H]- 243.15619 162.3
[M+NH4]+ 262.19729 176.8
[M+K]+ 283.12663 161.0
[M+H-H2O]+ 227.16073 149.2
[M+HCOO]- 289.16167 172.4
[M+CH3COO]- 303.17732 167.0
[M+Na-2H]- 265.13814 157.0
[M]+ 244.16292 154.8
[M]- 244.16402 154.8
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