CID 155973560

Methyl 2-hydroxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Structural Information

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

0
Patents

292.1482 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15548 159.7
[M+Na]+ 315.13742 169.5
[M-H]- 291.14092 167.8
[M+NH4]+ 310.18202 178.7
[M+K]+ 331.11136 170.3
[M+H-H2O]+ 275.14546 156.3
[M+HCOO]- 337.14640 178.4
[M+CH3COO]- 351.16205 200.9
[M+Na-2H]- 313.12287 163.0
[M]+ 292.14765 165.7
[M]- 292.14875 165.7
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.