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

6
Patents

292.1482 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.155476 162.6
[M+Na]+ 315.137418 170.4
[M-H]- 291.140924 169.9
[M+NH4]+ 310.182023 180.9
[M+K]+ 331.111358 171.6
[M+H-H2O]+ 275.145460 158.7
[M+HCOO]- 337.146401 180.3
[M+CH3COO]- 351.162051 199.3
[M+Na-2H]- 313.122866 165.7
[M]+ 292.14765142 167.1
[M]- 292.14874858 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