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 155.7
[M+Na]+ 291.04437 158.0
[M-H]- 267.04787 151.4
[M+NH4]+ 286.08897 169.5
[M+K]+ 307.01831 153.5
[M+H-H2O]+ 251.05241 148.5
[M+HCOO]- 313.05335 165.0
[M+CH3COO]- 327.06900 194.5
[M+Na-2H]- 289.02982 154.6
[M]+ 268.05460 157.5
[M]- 268.05570 157.5
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