CID 2773208

4-aminomethylphenylboronic acid pinacol ester

Structural Information

Molecular Formula
C13H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN
InChI
InChI=1S/C13H20BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9,15H2,1-4H3
InChIKey
FPUVAGQUKWMDKN-UHFFFAOYSA-N
Compound name
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

233.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16598 150.1
[M+Na]+ 256.14792 158.8
[M-H]- 232.15142 158.4
[M+NH4]+ 251.19252 171.3
[M+K]+ 272.12186 158.6
[M+H-H2O]+ 216.15596 145.6
[M+HCOO]- 278.15690 171.5
[M+CH3COO]- 292.17255 193.2
[M+Na-2H]- 254.13337 155.7
[M]+ 233.15815 151.6
[M]- 233.15925 151.6
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