CID 2737803

(3-amino-4-methylphenyl)boronic acid

Structural Information

Molecular Formula
C7H10BNO2
SMILES
B(C1=CC(=C(C=C1)C)N)(O)O
InChI
InChI=1S/C7H10BNO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,9H2,1H3
InChIKey
PLTGUDDQNWJILD-UHFFFAOYSA-N
Compound name
(3-amino-4-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

151.08046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08774 129.4
[M+Na]+ 174.06968 137.2
[M-H]- 150.07318 130.6
[M+NH4]+ 169.11428 149.1
[M+K]+ 190.04362 134.9
[M+H-H2O]+ 134.07772 124.4
[M+HCOO]- 196.07866 151.2
[M+CH3COO]- 210.09431 174.0
[M+Na-2H]- 172.05513 133.8
[M]+ 151.07991 126.4
[M]- 151.08101 126.4
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