CID 90413857

1628572-72-4

Structural Information

Molecular Formula
C14H19BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)OC)OCO3
InChI
InChI=1S/C14H19BO5/c1-13(2)14(3,4)20-15(19-13)9-6-10(16-5)12-11(7-9)17-8-18-12/h6-7H,8H2,1-5H3
InChIKey
OCMGSQZZUASIAV-UHFFFAOYSA-N
Compound name
2-(7-methoxy-1,3-benzodioxol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

278.13257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13985 156.3
[M+Na]+ 301.12179 166.5
[M-H]- 277.12529 167.3
[M+NH4]+ 296.16639 176.2
[M+K]+ 317.09573 169.3
[M+H-H2O]+ 261.12983 154.1
[M+HCOO]- 323.13077 174.5
[M+CH3COO]- 337.14642 198.7
[M+Na-2H]- 299.10724 162.5
[M]+ 278.13202 163.9
[M]- 278.13312 163.9
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