CID 72942438

149777-81-1

Structural Information

Molecular Formula
C15H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=CC=C2OC
InChI
InChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)11-10-12-8-6-7-9-13(12)17-5/h6-11H,1-5H3/b11-10+
InChIKey
RZVHHBCUXYNTKH-ZHACJKMWSA-N
Compound name
2-[(E)-2-(2-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.16568 155.3
[M+Na]+ 283.14762 164.3
[M-H]- 259.15112 163.9
[M+NH4]+ 278.19222 175.9
[M+K]+ 299.12156 164.1
[M+H-H2O]+ 243.15566 150.8
[M+HCOO]- 305.15660 176.1
[M+CH3COO]- 319.17225 195.5
[M+Na-2H]- 281.13307 160.7
[M]+ 260.15785 159.8
[M]- 260.15895 159.8
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