CID 83854819

2260933-24-0

Structural Information

Molecular Formula

C₇H₁₃NO₄S

SMILES

C1CS(=O)(=O)CC1CC(C(=O)O)N

InChI

InChI=1S/C7H13NO4S/c8-6(7(9)10)3-5-1-2-13(11,12)4-5/h5-6H,1-4,8H2,(H,9,10)

InChIKey

CCDAOOSBWWGJLY-UHFFFAOYSA-N

Compound name

2-amino-3-(1,1-dioxothiolan-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 207.05653 Da
Monoisotopic Mass: -3.2
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]+	208.06381	144.2
[M+Na]+	230.04575	149.7
[M+NH4]+	225.09035	151.4
[M+K]+	246.01969	145.6
[M-H]-	206.04925	142.6
[M+Na-2H]-	228.03120	146.1
[M]+	207.05598	144.4
[M]-	207.05708	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe