CID 67450886

{4-[2-(dimethylamino)ethyl]phenyl}boronic acid hydrochloride

Structural Information

Molecular Formula
C10H16BNO2
SMILES
B(C1=CC=C(C=C1)CCN(C)C)(O)O
InChI
InChI=1S/C10H16BNO2/c1-12(2)8-7-9-3-5-10(6-4-9)11(13)14/h3-6,13-14H,7-8H2,1-2H3
InChIKey
LTURQCADKXWUMN-UHFFFAOYSA-N
Compound name
[4-[2-(dimethylamino)ethyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

193.12741 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.13469 142.8
[M+Na]+ 216.11663 148.5
[M-H]- 192.12013 145.1
[M+NH4]+ 211.16123 161.5
[M+K]+ 232.09057 147.3
[M+H-H2O]+ 176.12467 136.8
[M+HCOO]- 238.12561 164.8
[M+CH3COO]- 252.14126 185.9
[M+Na-2H]- 214.10208 146.7
[M]+ 193.12686 142.8
[M]- 193.12796 142.8
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