CID 140435100

Tert-butyl 3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate

Structural Information

Molecular Formula
C19H29BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CCC(=O)OC(C)(C)C
InChI
InChI=1S/C19H29BO4/c1-17(2,3)22-16(21)13-12-14-10-8-9-11-15(14)20-23-18(4,5)19(6,7)24-20/h8-11H,12-13H2,1-7H3
InChIKey
FMLZNKSDIBNMDL-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.21588 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.22316 175.1
[M+Na]+ 355.20510 182.5
[M-H]- 331.20860 183.4
[M+NH4]+ 350.24970 192.9
[M+K]+ 371.17904 183.2
[M+H-H2O]+ 315.21314 171.1
[M+HCOO]- 377.21408 192.3
[M+CH3COO]- 391.22973 210.2
[M+Na-2H]- 353.19055 178.9
[M]+ 332.21533 181.5
[M]- 332.21643 181.5
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

No patent data available for this compound.