CID 53297413

Glutathioselenol

Structural Information

Molecular Formula
C10H16N3O6SSe
SMILES
C(CC(=O)N[C@@H](CS[Se])C(=O)NCC(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C10H16N3O6SSe/c11-5(10(18)19)1-2-7(14)13-6(4-20-21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKey
KAWPMBUMOSHIOP-WDSKDSINSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

385.9925 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.99978 184.3
[M+Na]+ 408.98172 183.7
[M-H]- 384.98522 179.2
[M+NH4]+ 404.02632 194.3
[M+K]+ 424.95566 182.7
[M+H-H2O]+ 368.98976 176.0
[M+HCOO]- 430.99070 195.3
[M+CH3COO]- 445.00635 211.5
[M+Na-2H]- 406.96717 177.6
[M]+ 385.99195 183.6
[M]- 385.99305 183.6
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.