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

93
Patents

165.09612 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10340 134.3
[M+Na]+ 188.08534 144.7
[M+NH4]+ 183.12994 141.9
[M+K]+ 204.05928 140.0
[M-H]- 164.08884 135.6
[M+Na-2H]- 186.07079 139.6
[M]+ 165.09557 135.9
[M]- 165.09667 135.9
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