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: 4
Patents: 385.9925 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe