CID 67466689

1345961-02-5

Structural Information

Molecular Formula
C16H25BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(C)(C)O)C
InChI
InChI=1S/C16H25BO3/c1-11-8-9-12(14(2,3)18)10-13(11)17-19-15(4,5)16(6,7)20-17/h8-10,18H,1-7H3
InChIKey
MJKWTZQFRNRPFJ-UHFFFAOYSA-N
Compound name
2-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

276.18967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19695 159.0
[M+Na]+ 299.17889 168.1
[M-H]- 275.18239 166.7
[M+NH4]+ 294.22349 178.7
[M+K]+ 315.15283 168.0
[M+H-H2O]+ 259.18693 155.8
[M+HCOO]- 321.18787 176.2
[M+CH3COO]- 335.20352 199.2
[M+Na-2H]- 297.16434 164.3
[M]+ 276.18912 162.9
[M]- 276.19022 162.9
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