CID 145913810

4,4,5,5-tetramethyl-2-(3-(prop-2-yn-1-yloxy)phenyl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCC#C
InChI
InChI=1S/C15H19BO3/c1-6-10-17-13-9-7-8-12(11-13)16-18-14(2,3)15(4,5)19-16/h1,7-9,11H,10H2,2-5H3
InChIKey
BTUVREQKCRGMSU-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-prop-2-ynoxyphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15001 151.3
[M+Na]+ 281.13195 163.7
[M-H]- 257.13545 157.7
[M+NH4]+ 276.17655 169.8
[M+K]+ 297.10589 159.7
[M+H-H2O]+ 241.13999 140.6
[M+HCOO]- 303.14093 166.9
[M+CH3COO]- 317.15658 201.9
[M+Na-2H]- 279.11740 156.2
[M]+ 258.14218 150.4
[M]- 258.14328 150.4
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.