CID 2773216

(2-aminophenyl)boronic acid

Structural Information

Molecular Formula
C6H8BNO2
SMILES
B(C1=CC=CC=C1N)(O)O
InChI
InChI=1S/C6H8BNO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H,8H2
InChIKey
DIRRKLFMHQUJCM-UHFFFAOYSA-N
Compound name
(2-aminophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

2827
Patents

137.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.072076 125.0
[M+Na]+ 160.054018 132.3
[M-H]- 136.057524 126.0
[M+NH4]+ 155.098623 144.9
[M+K]+ 176.027958 130.2
[M+H-H2O]+ 120.062060 120.0
[M+HCOO]- 182.063001 147.2
[M+CH3COO]- 196.078651 169.8
[M+Na-2H]- 158.039466 130.7
[M]+ 137.06425142 121.2
[M]- 137.06534858 121.2
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