CID 14966963

23582-63-0

Structural Information

Molecular Formula

C₁₅H₁₅NO₂

SMILES

C1=CC=C(C=C1)CN(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H15NO2/c17-15(18)12-16(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,18)

InChIKey

KUPDILJKKXVBLS-UHFFFAOYSA-N

Compound name

2-(N-benzylanilino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 241.11028 Da
Monoisotopic Mass: 3.8
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]+	242.117556	154.5
[M+Na]+	264.099498	159.4
[M-H]-	240.103004	160.7
[M+NH4]+	259.144103	170.9
[M+K]+	280.073438	156.7
[M+H-H2O]+	224.107540	146.5
[M+HCOO]-	286.108481	178.2
[M+CH3COO]-	300.124131	194.8
[M+Na-2H]-	262.084946	160.0
[M]+	241.10973142	154.1
[M]-	241.11082858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe