CID 59224652

1052647-21-8

Structural Information

Molecular Formula
C16H23BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2C)OC)C(=O)OC
InChI
InChI=1S/C16H23BO5/c1-10-8-13(19-6)11(14(18)20-7)9-12(10)17-21-15(2,3)16(4,5)22-17/h8-9H,1-7H3
InChIKey
HOGKWPLWXKLNFE-UHFFFAOYSA-N
Compound name
methyl 2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

306.16385 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.17113 162.9
[M+Na]+ 329.15307 172.8
[M-H]- 305.15657 172.2
[M+NH4]+ 324.19767 182.1
[M+K]+ 345.12701 174.2
[M+H-H2O]+ 289.16111 159.1
[M+HCOO]- 351.16205 182.8
[M+CH3COO]- 365.17770 206.3
[M+Na-2H]- 327.13852 166.2
[M]+ 306.16330 171.1
[M]- 306.16440 171.1
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