CID 2737801

380430-55-7

Structural Information

Molecular Formula

C₈H₁₀BNO₄

SMILES

B(C1=C(C=C(C=C1)C(=O)OC)N)(O)O

InChI

InChI=1S/C8H10BNO4/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,12-13H,10H2,1H3

InChIKey

OLHRJDVIFHDPLZ-UHFFFAOYSA-N

Compound name

(2-amino-4-methoxycarbonylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 195.07028 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.07756	139.8
[M+Na]+	218.05950	149.3
[M+NH4]+	213.10410	145.8
[M+K]+	234.03344	146.6
[M-H]-	194.06300	139.5
[M+Na-2H]-	216.04495	143.4
[M]+	195.06973	140.6
[M]-	195.07083	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe