CID 22171502

603122-40-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

292.1482 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.155476 159.9
[M+Na]+ 315.137418 169.3
[M-H]- 291.140924 168.9
[M+NH4]+ 310.182023 179.3
[M+K]+ 331.111358 170.8
[M+H-H2O]+ 275.145460 155.9
[M+HCOO]- 337.146401 180.1
[M+CH3COO]- 351.162051 202.0
[M+Na-2H]- 313.122866 164.2
[M]+ 292.14765142 167.3
[M]- 292.14874858 167.3
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