CID 20672259

3-(n, n-dimethylaminomethyl) phenylboronic acid

Structural Information

Molecular Formula
C9H14BNO2
SMILES
B(C1=CC(=CC=C1)CN(C)C)(O)O
InChI
InChI=1S/C9H14BNO2/c1-11(2)7-8-4-3-5-9(6-8)10(12)13/h3-6,12-13H,7H2,1-2H3
InChIKey
OFYQEYPITRRCBP-UHFFFAOYSA-N
Compound name
[3-[(dimethylamino)methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

179.11176 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11904 138.2
[M+Na]+ 202.10098 144.3
[M-H]- 178.10448 140.6
[M+NH4]+ 197.14558 157.3
[M+K]+ 218.07492 143.3
[M+H-H2O]+ 162.10902 132.3
[M+HCOO]- 224.10996 160.5
[M+CH3COO]- 238.12561 182.9
[M+Na-2H]- 200.08643 142.6
[M]+ 179.11121 137.7
[M]- 179.11231 137.7
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

patents stripe