CID 72221177

1639892-78-6

Structural Information

Molecular Formula
C15H21BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C(=O)OC)O
InChI
InChI=1S/C15H21BO5/c1-14(2)15(3,4)21-16(20-14)11-8-6-10(7-9-11)12(17)13(18)19-5/h6-9,12,17H,1-5H3
InChIKey
HMNUFMMQTOZXBE-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

292.1482 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15548 162.6
[M+Na]+ 315.13742 170.4
[M-H]- 291.14092 169.9
[M+NH4]+ 310.18202 180.9
[M+K]+ 331.11136 171.6
[M+H-H2O]+ 275.14546 158.7
[M+HCOO]- 337.14640 180.3
[M+CH3COO]- 351.16205 199.3
[M+Na-2H]- 313.12287 165.7
[M]+ 292.14765 167.1
[M]- 292.14875 167.1
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