CID 59619902

1005009-95-9

Structural Information

Molecular Formula
C16H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OCC)OCC
InChI
InChI=1S/C16H25BO4/c1-7-18-13-10-9-12(11-14(13)19-8-2)17-20-15(3,4)16(5,6)21-17/h9-11H,7-8H2,1-6H3
InChIKey
MBCMPJGYOKNJKF-UHFFFAOYSA-N
Compound name
2-(3,4-diethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

292.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19188 162.8
[M+Na]+ 315.17382 171.7
[M-H]- 291.17732 171.4
[M+NH4]+ 310.21842 182.3
[M+K]+ 331.14776 172.5
[M+H-H2O]+ 275.18186 158.2
[M+HCOO]- 337.18280 183.2
[M+CH3COO]- 351.19845 203.2
[M+Na-2H]- 313.15927 167.3
[M]+ 292.18405 170.3
[M]- 292.18515 170.3
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