CID 71310892

1-phenylvinylboronic acid mida ester

Structural Information

Molecular Formula
C13H14BNO4
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C(=C)C2=CC=CC=C2
InChI
InChI=1S/C13H14BNO4/c1-10(11-6-4-3-5-7-11)14-18-12(16)8-15(2)9-13(17)19-14/h3-7H,1,8-9H2,2H3
InChIKey
LDAWJVVAQPYNSX-UHFFFAOYSA-N
Compound name
6-methyl-2-(1-phenylethenyl)-1,3,6,2-dioxazaborocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.1016 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10888 156.0
[M+Na]+ 282.09082 159.9
[M+NH4]+ 277.13542 158.0
[M+K]+ 298.06476 159.3
[M-H]- 258.09432 157.4
[M+Na-2H]- 280.07627 158.3
[M]+ 259.10105 156.8
[M]- 259.10215 156.8
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

patents stripe