CID 165752107

2246916-66-3

Structural Information

Molecular Formula
C17H25BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C(\C)/COCC2=CC=CC=C2
InChI
InChI=1S/C17H25BO3/c1-14(12-19-13-15-9-7-6-8-10-15)11-18-20-16(2,3)17(4,5)21-18/h6-11H,12-13H2,1-5H3/b14-11+
InChIKey
GNZALLFMFGISHP-SDNWHVSQSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-2-methyl-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19695 166.3
[M+Na]+ 311.17889 173.2
[M-H]- 287.18239 174.1
[M+NH4]+ 306.22349 185.3
[M+K]+ 327.15283 173.0
[M+H-H2O]+ 271.18693 161.3
[M+HCOO]- 333.18787 185.4
[M+CH3COO]- 347.20352 201.1
[M+Na-2H]- 309.16434 169.9
[M]+ 288.18912 170.4
[M]- 288.19022 170.4
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.