CID 21923902

269410-10-8

Structural Information

Molecular Formula
C15H21BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)OC)OC
InChI
InChI=1S/C15H21BO5/c1-14(2)15(3,4)21-16(20-14)11-9-10(13(17)19-6)7-8-12(11)18-5/h7-9H,1-6H3
InChIKey
BFNCIPMAUSEQIE-UHFFFAOYSA-N
Compound name
methyl 4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

292.1482 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15548 162.1
[M+Na]+ 315.13742 173.6
[M+NH4]+ 310.18202 171.5
[M+K]+ 331.11136 167.9
[M-H]- 291.14092 166.7
[M+Na-2H]- 313.12287 168.7
[M]+ 292.14765 165.4
[M]- 292.14875 165.4
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