CID 362740

100394-14-7

Structural Information

Molecular Formula

C₁₃H₁₃NO₄S

SMILES

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

InChI

InChI=1S/C13H13NO4S/c15-13(16)7-8-14-19(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,14H,7-8H2,(H,15,16)

InChIKey

ZARBMGXIZPSUAL-UHFFFAOYSA-N

Compound name

3-(naphthalen-2-ylsulfonylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 24
Patents: 279.05652 Da
Monoisotopic Mass: 0.3
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]+	280.06380	159.1
[M+Na]+	302.04574	169.5
[M+NH4]+	297.09034	165.9
[M+K]+	318.01968	162.8
[M-H]-	278.04924	159.8
[M+Na-2H]-	300.03119	164.1
[M]+	279.05597	161.0
[M]-	279.05707	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe