CID 2734344

28611-39-4

Structural Information

Molecular Formula
C8H12BNO2
SMILES
B(C1=CC=C(C=C1)N(C)C)(O)O
InChI
InChI=1S/C8H12BNO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6,11-12H,1-2H3
InChIKey
RIIPFHVHLXPMHQ-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2720
Patents

165.09612 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.103396 133.5
[M+Na]+ 188.085338 140.0
[M-H]- 164.088844 136.1
[M+NH4]+ 183.129943 153.2
[M+K]+ 204.059278 139.3
[M+H-H2O]+ 148.093380 127.8
[M+HCOO]- 210.094321 156.1
[M+CH3COO]- 224.109971 179.9
[M+Na-2H]- 186.070786 138.4
[M]+ 165.09557142 132.7
[M]- 165.09666858 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe