CID 3058930

Methionine, n-(dithiocarboxy)-, l-, disodium salt

Structural Information

Molecular Formula
C6H11NO2S3
SMILES
CSCC[C@@H](C(=O)O)NC(=S)S
InChI
InChI=1S/C6H11NO2S3/c1-12-3-2-4(5(8)9)7-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H2,7,10,11)/t4-/m0/s1
InChIKey
MIJFIODMNPRSCG-BYPYZUCNSA-N
Compound name
(2S)-2-(dithiocarboxyamino)-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.9952 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.00248 145.1
[M+Na]+ 247.98442 149.3
[M-H]- 223.98792 142.3
[M+NH4]+ 243.02902 161.5
[M+K]+ 263.95836 143.7
[M+H-H2O]+ 207.99246 138.8
[M+HCOO]- 269.99340 147.6
[M+CH3COO]- 284.00905 187.9
[M+Na-2H]- 245.96987 142.3
[M]+ 224.99465 144.7
[M]- 224.99575 144.7
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.