CID 448254

S-{2-[amino(dihydroxy)-lambda~4~-sulfanyl]ethyl}-d-cysteine

Structural Information

Molecular Formula
C5H12N2O4S2
SMILES
C(CS(=O)(=O)N)SC[C@@H](C(=O)O)N
InChI
InChI=1S/C5H12N2O4S2/c6-4(5(8)9)3-12-1-2-13(7,10)11/h4H,1-3,6H2,(H,8,9)(H2,7,10,11)/t4-/m0/s1
InChIKey
ZRCBQBJBRHIRRG-BYPYZUCNSA-N
Compound name
(2R)-2-amino-3-(2-sulfamoylethylsulfanyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.02385 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03113 146.0
[M+Na]+ 251.01307 150.5
[M-H]- 227.01657 142.7
[M+NH4]+ 246.05767 161.6
[M+K]+ 266.98701 146.6
[M+H-H2O]+ 211.02111 139.7
[M+HCOO]- 273.02205 155.1
[M+CH3COO]- 287.03770 186.6
[M+Na-2H]- 248.99852 145.2
[M]+ 228.02330 145.3
[M]- 228.02440 145.3
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

No patent data available for this compound.