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]+ 259.150006 151.3
[M+Na]+ 281.131948 163.7
[M-H]- 257.135454 157.7
[M+NH4]+ 276.176553 169.8
[M+K]+ 297.105888 159.7
[M+H-H2O]+ 241.139990 140.6
[M+HCOO]- 303.140931 166.9
[M+CH3COO]- 317.156581 201.9
[M+Na-2H]- 279.117396 156.2
[M]+ 258.14218142 150.4
[M]- 258.14327858 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.