CID 53250113

1312464-73-5

Structural Information

Molecular Formula
C19H29BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(CC3(C)C)(C)C
InChI
InChI=1S/C19H29BO2/c1-16(2)12-17(3,4)15-11-13(9-10-14(15)16)20-21-18(5,6)19(7,8)22-20/h9-11H,12H2,1-8H3
InChIKey
YGTCFKLITCHELA-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

300.22607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.23335 159.8
[M+Na]+ 323.21529 171.2
[M-H]- 299.21879 169.9
[M+NH4]+ 318.25989 186.0
[M+K]+ 339.18923 169.6
[M+H-H2O]+ 283.22333 157.5
[M+HCOO]- 345.22427 178.0
[M+CH3COO]- 359.23992 207.1
[M+Na-2H]- 321.20074 164.2
[M]+ 300.22552 165.0
[M]- 300.22662 165.0
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