CID 207407

Acetic acid, dithiodiethylenediiminodi-, dihydrochloride

Structural Information

Molecular Formula

C₈H₁₆N₂O₄S₂

SMILES

C(CSSCCNCC(=O)O)NCC(=O)O

InChI

InChI=1S/C8H16N2O4S2/c11-7(12)5-9-1-3-15-16-4-2-10-6-8(13)14/h9-10H,1-6H2,(H,11,12)(H,13,14)

InChIKey

VGTZMOJZOBYPFD-UHFFFAOYSA-N

Compound name

2-[2-[2-(carboxymethylamino)ethyldisulfanyl]ethylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.05515 Da
Monoisotopic Mass: -5.3
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]+	269.062426	155.7
[M+Na]+	291.044368	158.0
[M-H]-	267.047874	151.4
[M+NH4]+	286.088973	169.5
[M+K]+	307.018308	153.5
[M+H-H2O]+	251.052410	148.5
[M+HCOO]-	313.053351	165.0
[M+CH3COO]-	327.069001	194.5
[M+Na-2H]-	289.029816	154.6
[M]+	268.05460142	157.5
[M]-	268.05569858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe