CID 90202741

1613259-90-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

276.18967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19695 159.2
[M+Na]+ 299.17889 167.9
[M-H]- 275.18239 167.9
[M+NH4]+ 294.22349 179.4
[M+K]+ 315.15283 168.7
[M+H-H2O]+ 259.18693 155.4
[M+HCOO]- 321.18787 178.0
[M+CH3COO]- 335.20352 200.4
[M+Na-2H]- 297.16434 165.5
[M]+ 276.18912 164.5
[M]- 276.19022 164.5
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