CID 56776720

1415236-88-2

Structural Information

Molecular Formula
C15H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC=C
InChI
InChI=1S/C15H21BO3/c1-6-11-17-13-9-7-12(8-10-13)16-18-14(2,3)15(4,5)19-16/h6-10H,1,11H2,2-5H3
InChIKey
VILPUDKKKJEDSO-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(4-prop-2-enoxyphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.16568 155.0
[M+Na]+ 283.14762 164.0
[M-H]- 259.15112 163.6
[M+NH4]+ 278.19222 175.6
[M+K]+ 299.12156 163.7
[M+H-H2O]+ 243.15566 150.5
[M+HCOO]- 305.15660 175.9
[M+CH3COO]- 319.17225 196.2
[M+Na-2H]- 281.13307 160.5
[M]+ 260.15785 159.7
[M]- 260.15895 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe