CID 137951797

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

Structural Information

Molecular Formula
C15H22BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2C)C(=O)OC)N
InChI
InChI=1S/C15H22BNO4/c1-9-11(13(18)19-6)7-10(17)8-12(9)16-20-14(2,3)15(4,5)21-16/h7-8H,17H2,1-6H3
InChIKey
GIFRXXMNIOOBKU-UHFFFAOYSA-N
Compound name
methyl 5-amino-2-methyl-3-(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

291.16418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.17146 162.7
[M+Na]+ 314.15340 172.1
[M-H]- 290.15690 171.4
[M+NH4]+ 309.19800 181.8
[M+K]+ 330.12734 172.6
[M+H-H2O]+ 274.16144 158.6
[M+HCOO]- 336.16238 182.9
[M+CH3COO]- 350.17803 205.7
[M+Na-2H]- 312.13885 165.4
[M]+ 291.16363 167.2
[M]- 291.16473 167.2
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.