CID 6993069

22735-07-5

Structural Information

Molecular Formula
C10H20N2O4S2
SMILES
CCOC(=O)[C@H](CSSC[C@@H](C(=O)OCC)N)N
InChI
InChI=1S/C10H20N2O4S2/c1-3-15-9(13)7(11)5-17-18-6-8(12)10(14)16-4-2/h7-8H,3-6,11-12H2,1-2H3/t7-,8-/m0/s1
InChIKey
CIKFAVCRANPUES-YUMQZZPRSA-N
Compound name
ethyl (2R)-2-amino-3-[[(2R)-2-amino-3-ethoxy-3-oxopropyl]disulfanyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

292
Patents

296.08646 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09374 167.0
[M+Na]+ 319.07568 168.9
[M-H]- 295.07918 164.4
[M+NH4]+ 314.12028 180.7
[M+K]+ 335.04962 166.2
[M+H-H2O]+ 279.08372 159.4
[M+HCOO]- 341.08466 175.3
[M+CH3COO]- 355.10031 204.4
[M+Na-2H]- 317.06113 161.8
[M]+ 296.08591 169.9
[M]- 296.08701 169.9
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

No patent data available for this compound.