CID 46173872

S-(4-methylthiobutylthiohydroximoyl)-l-cysteine

Structural Information

Molecular Formula
C8H16N2O3S2
SMILES
CSCCC/C(=N/O)/SC[C@@H](C(=O)O)N
InChI
InChI=1S/C8H16N2O3S2/c1-14-4-2-3-7(10-13)15-5-6(9)8(11)12/h6,13H,2-5,9H2,1H3,(H,11,12)/b10-7-/t6-/m0/s1
InChIKey
RHJXZAWQBJGJJP-FQUWQITNSA-N
Compound name
(2R)-2-amino-3-[(Z)-N-hydroxy-C-(3-methylsulfanylpropyl)carbonimidoyl]sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

252.06024 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06752 155.3
[M+Na]+ 275.04946 158.9
[M+NH4]+ 270.09406 160.4
[M+K]+ 291.02340 153.2
[M-H]- 251.05296 153.0
[M+Na-2H]- 273.03491 154.0
[M]+ 252.05969 155.3
[M]- 252.06079 155.3
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.