CID 702481

92740-48-2

Structural Information

Molecular Formula

C₁₂H₁₁NO₄S

SMILES

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

InChI

InChI=1S/C12H11NO4S/c14-12(15)8-13-18(16,17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,13H,8H2,(H,14,15)

InChIKey

MTFDMQASMMCFHB-UHFFFAOYSA-N

Compound name

2-(naphthalen-2-ylsulfonylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 39
Patents: 265.0409 Da
Monoisotopic Mass: 0.4
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]+	266.04818	154.7
[M+Na]+	288.03012	165.4
[M+NH4]+	283.07472	161.7
[M+K]+	304.00406	158.9
[M-H]-	264.03362	155.5
[M+Na-2H]-	286.01557	160.0
[M]+	265.04035	156.7
[M]-	265.04145	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe