CID 3046746

Sl 75,019

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

C1=CC=C(C=C1)C(=NCCC(=O)O)C2=CC=CC=C2O

InChI

InChI=1S/C16H15NO3/c18-14-9-5-4-8-13(14)16(17-11-10-15(19)20)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,19,20)

InChIKey

LKGVHWIAHQGVKT-UHFFFAOYSA-N

Compound name

3-[[(2-hydroxyphenyl)-phenylmethylidene]amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.1052 Da
Monoisotopic Mass: 2.6
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]+	270.112476	161.3
[M+Na]+	292.094418	166.5
[M-H]-	268.097924	166.4
[M+NH4]+	287.139023	176.0
[M+K]+	308.068358	162.8
[M+H-H2O]+	252.102460	153.4
[M+HCOO]-	314.103401	183.5
[M+CH3COO]-	328.119051	197.2
[M+Na-2H]-	290.079866	165.1
[M]+	269.10465142	160.4
[M]-	269.10574858	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.