CID 79662526

4,4,5,5-tetramethyl-2-[3-(pent-4-en-1-yloxy)phenyl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C17H25BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCCCC=C
InChI
InChI=1S/C17H25BO3/c1-6-7-8-12-19-15-11-9-10-14(13-15)18-20-16(2,3)17(4,5)21-18/h6,9-11,13H,1,7-8,12H2,2-5H3
InChIKey
VFZGYTAZBTXWSS-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-pent-4-enoxyphenyl)-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 164.3
[M+Na]+ 311.17889 172.4
[M-H]- 287.18239 172.5
[M+NH4]+ 306.22349 183.7
[M+K]+ 327.15283 171.7
[M+H-H2O]+ 271.18693 159.4
[M+HCOO]- 333.18787 184.5
[M+CH3COO]- 347.20352 202.1
[M+Na-2H]- 309.16434 168.7
[M]+ 288.18912 169.6
[M]- 288.19022 169.6
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.