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

13
References

257
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

literature stripe

Patent stripe

patents stripe