CID 165760242

2101285-79-2

Structural Information

Molecular Formula
C15H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)/C=C/C=O
InChI
InChI=1S/C15H19BO3/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)6-5-11-17/h5-11H,1-4H3/b6-5+
InChIKey
OTTBCWDHWPUZGI-AATRIKPKSA-N
Compound name
(E)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enal
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 153.9
[M+Na]+ 281.13195 163.3
[M-H]- 257.13545 162.6
[M+NH4]+ 276.17655 174.6
[M+K]+ 297.10589 162.4
[M+H-H2O]+ 241.13999 149.6
[M+HCOO]- 303.14093 175.0
[M+CH3COO]- 317.15658 194.7
[M+Na-2H]- 279.11740 159.4
[M]+ 258.14218 157.8
[M]- 258.14328 157.8
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.