CID 3803620

3-(n,n-dimethylaminomethyl)phenylboronic acid, pinacol ester

Structural Information

Molecular Formula
C15H24BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CN(C)C
InChI
InChI=1S/C15H24BNO2/c1-14(2)15(3,4)19-16(18-14)13-9-7-8-12(10-13)11-17(5)6/h7-10H,11H2,1-6H3
InChIKey
LBUOWYCATLFSRN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-[3-(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

105
Patents

261.19 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19728 157.8
[M+Na]+ 284.17922 165.8
[M-H]- 260.18272 167.7
[M+NH4]+ 279.22382 178.7
[M+K]+ 300.15316 166.9
[M+H-H2O]+ 244.18726 152.8
[M+HCOO]- 306.18820 179.7
[M+CH3COO]- 320.20385 203.2
[M+Na-2H]- 282.16467 162.7
[M]+ 261.18945 162.1
[M]- 261.19055 162.1
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