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]+ 293.155476 159.7
[M+Na]+ 315.137418 169.5
[M-H]- 291.140924 167.8
[M+NH4]+ 310.182023 178.7
[M+K]+ 331.111358 170.3
[M+H-H2O]+ 275.145460 156.3
[M+HCOO]- 337.146401 178.4
[M+CH3COO]- 351.162051 200.9
[M+Na-2H]- 313.122866 163.0
[M]+ 292.14765142 165.7
[M]- 292.14874858 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.