CID 131745352

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C15H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CCC3O)C=C2
InChI
InChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)11-7-5-10-6-8-13(17)12(10)9-11/h5,7,9,13,17H,6,8H2,1-4H3
InChIKey
JLLIPIJTIFVABR-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

260.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.16568 155.9
[M+Na]+ 283.14762 165.4
[M-H]- 259.15112 164.3
[M+NH4]+ 278.19222 178.7
[M+K]+ 299.12156 164.1
[M+H-H2O]+ 243.15566 152.8
[M+HCOO]- 305.15660 174.1
[M+CH3COO]- 319.17225 169.6
[M+Na-2H]- 281.13307 159.4
[M]+ 260.15785 157.9
[M]- 260.15895 157.9
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