CID 723005

202805-22-9

Structural Information

Molecular Formula

C₁₀H₁₁NO₄S

SMILES

C1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C10H11NO4S/c12-10(13)8-11-16(14,15)7-6-9-4-2-1-3-5-9/h1-7,11H,8H2,(H,12,13)/b7-6+

InChIKey

BENSSPRDYYRKBA-VOTSOKGWSA-N

Compound name

2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 5
Patents: 241.04088 Da
Monoisotopic Mass: 0.9
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]+	242.04816	151.9
[M+Na]+	264.03010	160.6
[M+NH4]+	259.07470	157.5
[M+K]+	280.00404	154.7
[M-H]-	240.03360	151.1
[M+Na-2H]-	262.01555	155.8
[M]+	241.04033	152.9
[M]-	241.04143	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe