CID 54971049

(3-{[methyl(phenyl)amino]methyl}phenyl)boronic acid hydrochloride

Structural Information

Molecular Formula
C14H16BNO2
SMILES
B(C1=CC(=CC=C1)CN(C)C2=CC=CC=C2)(O)O
InChI
InChI=1S/C14H16BNO2/c1-16(14-8-3-2-4-9-14)11-12-6-5-7-13(10-12)15(17)18/h2-10,17-18H,11H2,1H3
InChIKey
ZJQLMGRDWCNSQU-UHFFFAOYSA-N
Compound name
[3-[(N-methylanilino)methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.12741 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13469 155.3
[M+Na]+ 264.11663 168.0
[M+NH4]+ 259.16123 163.6
[M+K]+ 280.09057 161.6
[M-H]- 240.12013 159.8
[M+Na-2H]- 262.10208 164.0
[M]+ 241.12686 158.3
[M]- 241.12796 158.3
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.