CID 258527

Copper, bis(3,3'-dithiobis(d-valinato)-n,o)-, (sp-4-1)-

Structural Information

Molecular Formula
C10H20N2O4S2
SMILES
CC(C)(C(C(=O)O)N)SSC(C)(C)C(C(=O)O)N
InChI
InChI=1S/C10H20N2O4S2/c1-9(2,5(11)7(13)14)17-18-10(3,4)6(12)8(15)16/h5-6H,11-12H2,1-4H3,(H,13,14)(H,15,16)
InChIKey
POYPKGFSZHXASD-UHFFFAOYSA-N
Compound name
2-amino-3-[(1-amino-1-carboxy-2-methylpropan-2-yl)disulfanyl]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

187
Patents

296.08646 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09374 165.6
[M+Na]+ 319.07568 166.8
[M-H]- 295.07918 160.2
[M+NH4]+ 314.12028 177.6
[M+K]+ 335.04962 163.6
[M+H-H2O]+ 279.08372 159.5
[M+HCOO]- 341.08466 168.2
[M+CH3COO]- 355.10031 202.0
[M+Na-2H]- 317.06113 162.1
[M]+ 296.08591 163.9
[M]- 296.08701 163.9
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.