CID 6326804

Ethylenedicysteine

Structural Information

Molecular Formula
C8H16N2O4S2
SMILES
C(CN[C@@H](CS)C(=O)O)N[C@@H](CS)C(=O)O
InChI
InChI=1S/C8H16N2O4S2/c11-7(12)5(3-15)9-1-2-10-6(4-16)8(13)14/h5-6,9-10,15-16H,1-4H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1
InChIKey
BQHFYSWNHZMMDO-WDSKDSINSA-N
Compound name
(2R)-2-[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]ethylamino]-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

93
References

756
Patents

268.05515 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06243 157.7
[M+Na]+ 291.04437 160.1
[M+NH4]+ 286.08897 161.8
[M+K]+ 307.01831 155.9
[M-H]- 267.04787 154.2
[M+Na-2H]- 289.02982 155.7
[M]+ 268.05460 157.1
[M]- 268.05570 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe