CID 3155063

82068-09-5

Structural Information

Molecular Formula

C₆H₇NO₄S₂

SMILES

C1=CSC(=C1)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C6H7NO4S2/c8-5(9)4-7-13(10,11)6-2-1-3-12-6/h1-3,7H,4H2,(H,8,9)

InChIKey

UFLYUBNAUREKFD-UHFFFAOYSA-N

Compound name

2-(thiophen-2-ylsulfonylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 19
Patents: 220.98164 Da
Monoisotopic Mass: 0.5
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]+	221.98892	146.4
[M+Na]+	243.97086	152.9
[M+NH4]+	239.01546	152.7
[M+K]+	259.94480	148.3
[M-H]-	219.97436	145.2
[M+Na-2H]-	241.95631	148.3
[M]+	220.98109	147.4
[M]-	220.98219	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe