CID 22178831

1165800-54-3

Structural Information

Molecular Formula
C8H12BNO2
SMILES
B(C1=CC=C(C=C1)CCN)(O)O
InChI
InChI=1S/C8H12BNO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5-6,10H2
InChIKey
ZUWSXKQTYHDETD-UHFFFAOYSA-N
Compound name
[4-(2-aminoethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

165.09612 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.103396 134.2
[M+Na]+ 188.085338 140.6
[M-H]- 164.088844 134.8
[M+NH4]+ 183.129943 153.0
[M+K]+ 204.059278 138.1
[M+H-H2O]+ 148.093380 128.7
[M+HCOO]- 210.094321 155.7
[M+CH3COO]- 224.109971 175.8
[M+Na-2H]- 186.070786 138.8
[M]+ 165.09557142 131.1
[M]- 165.09666858 131.1
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