CID 2735704

1093123-73-9

Structural Information

Molecular Formula

C₆H₁₁NO₄S

SMILES

C1CS(=O)(=O)CC1NCC(=O)O

InChI

InChI=1S/C6H11NO4S/c8-6(9)3-7-5-1-2-12(10,11)4-5/h5,7H,1-4H2,(H,8,9)

InChIKey

NLJKAAYXSDTMSI-UHFFFAOYSA-N

Compound name

2-[(1,1-dioxothiolan-3-yl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 193.04088 Da
Monoisotopic Mass: -3.3
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]+	194.04816	140.1
[M+Na]+	216.03010	146.5
[M+NH4]+	211.07470	147.8
[M+K]+	232.00404	141.5
[M-H]-	192.03360	138.9
[M+Na-2H]-	214.01555	143.0
[M]+	193.04033	140.7
[M]-	193.04143	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe