CID 165947501

2-(5-methoxy-2,3-dihydro-1h-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC3=C2CCC3)OC
InChI
InChI=1S/C16H23BO3/c1-15(2)16(3,4)20-17(19-15)14-12-8-6-7-11(12)9-10-13(14)18-5/h9-10H,6-8H2,1-5H3
InChIKey
IXMVZCYNWPATKB-UHFFFAOYSA-N
Compound name
2-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.181276 159.6
[M+Na]+ 297.163218 169.1
[M-H]- 273.166724 169.1
[M+NH4]+ 292.207823 182.5
[M+K]+ 313.137158 168.4
[M+H-H2O]+ 257.171260 156.1
[M+HCOO]- 319.172201 178.9
[M+CH3COO]- 333.187851 199.3
[M+Na-2H]- 295.148666 162.9
[M]+ 274.17345142 163.7
[M]- 274.17454858 163.7
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

No patent data available for this compound.