CID 53373

Brn 5274781

Structural Information

Molecular Formula

C₁₅H₁₅NO₃

SMILES

COC1=CC=C(C=C1)C2=CC(=CC(=C2)CC(=O)O)N

InChI

InChI=1S/C15H15NO3/c1-19-14-4-2-11(3-5-14)12-6-10(8-15(17)18)7-13(16)9-12/h2-7,9H,8,16H2,1H3,(H,17,18)

InChIKey

LBCNEMKATYAVOO-UHFFFAOYSA-N

Compound name

2-[3-amino-5-(4-methoxyphenyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 257.1052 Da
Monoisotopic Mass: 2.3
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]+	258.112476	157.8
[M+Na]+	280.094418	165.2
[M-H]-	256.097924	163.2
[M+NH4]+	275.139023	173.5
[M+K]+	296.068358	161.6
[M+H-H2O]+	240.102460	150.4
[M+HCOO]-	302.103401	180.5
[M+CH3COO]-	316.119051	196.6
[M+Na-2H]-	278.079866	160.8
[M]+	257.10465142	157.8
[M]-	257.10574858	157.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.