CID 16776079

926200-37-5

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NCCC(=O)O

InChI

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

InChIKey

UWCKYMSSNVSTQI-UHFFFAOYSA-N

Compound name

3-(naphthalene-2-carbonylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 243.08954 Da
Monoisotopic Mass: 2.5
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]+	244.096816	152.7
[M+Na]+	266.078758	158.8
[M-H]-	242.082264	155.6
[M+NH4]+	261.123363	169.9
[M+K]+	282.052698	155.6
[M+H-H2O]+	226.086800	146.0
[M+HCOO]-	288.087741	174.0
[M+CH3COO]-	302.103391	192.9
[M+Na-2H]-	264.064206	158.4
[M]+	243.08899142	152.5
[M]-	243.09008858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe