CID 2734312

4-(aminomethyl)benzeneboronic acid hydrochloride

Structural Information

Molecular Formula
C7H10BNO2
SMILES
B(C1=CC=C(C=C1)CN)(O)O
InChI
InChI=1S/C7H10BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5,9H2
InChIKey
KMWLUGSVWULTHR-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1087
Patents

151.08046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08774 129.6
[M+Na]+ 174.06968 136.4
[M-H]- 150.07318 130.4
[M+NH4]+ 169.11428 149.0
[M+K]+ 190.04362 134.2
[M+H-H2O]+ 134.07772 124.3
[M+HCOO]- 196.07866 151.4
[M+CH3COO]- 210.09431 172.8
[M+Na-2H]- 172.05513 134.8
[M]+ 151.07991 126.2
[M]- 151.08101 126.2
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