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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06243 157.2
[M+Na]+ 291.04437 160.4
[M+NH4]+ 286.08897 161.7
[M+K]+ 307.01831 154.5
[M-H]- 267.04787 154.2
[M+Na-2H]- 289.02982 155.8
[M]+ 268.05460 156.9
[M]- 268.05570 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe