CID 234640

6277-60-7

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)NCC(=O)O

InChI

InChI=1S/C14H13NO3/c16-13(15-9-14(17)18)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,15,16)(H,17,18)

InChIKey

BMZHJBUIQBHUPO-UHFFFAOYSA-N

Compound name

2-[(2-naphthalen-1-ylacetyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.08954 Da
Monoisotopic Mass: 2.0
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]+	244.09682	153.7
[M+Na]+	266.07876	165.2
[M+NH4]+	261.12336	161.1
[M+K]+	282.05270	159.3
[M-H]-	242.08226	155.5
[M+Na-2H]-	264.06421	159.3
[M]+	243.08899	155.6
[M]-	243.09009	155.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.