CID 121714

Cystine disulfoxide

Structural Information

Molecular Formula

C₆H₁₂N₂O₆S₂

SMILES

C(C(C(=O)O)N)SS(=O)(=O)CC(C(=O)O)N

InChI

InChI=1S/C6H12N2O6S2/c7-3(5(9)10)1-15-16(13,14)2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)

InChIKey

RXQXJZDPDXVIEN-UHFFFAOYSA-N

Compound name

2-amino-3-(2-amino-2-carboxyethyl)sulfonylsulfanylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 132
Patents: 272.01367 Da
Monoisotopic Mass: -7.1
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]+	273.02095	154.6
[M+Na]+	295.00289	157.1
[M-H]-	271.00639	149.5
[M+NH4]+	290.04749	167.1
[M+K]+	310.97683	153.9
[M+H-H2O]+	255.01093	148.1
[M+HCOO]-	317.01187	160.5
[M+CH3COO]-	331.02752	192.9
[M+Na-2H]-	292.98834	152.0
[M]+	272.01312	153.3
[M]-	272.01422	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe