CID 15894949

Seleno-l-homocysteine

Structural Information

Molecular Formula

C₄H₈NO₂Se

SMILES

C(C[Se])[C@@H](C(=O)O)N

InChI

InChI=1S/C4H8NO2Se/c5-3(1-2-8)4(6)7/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1

InChIKey

IGDAEYVCCNGPNW-VKHMYHEASA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 181.97203 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]+	182.97931	137.2
[M+Na]+	204.96125	142.9
[M-H]-	180.96475	135.2
[M+NH4]+	200.00585	157.7
[M+K]+	220.93519	142.5
[M+H-H2O]+	164.96929	132.0
[M+HCOO]-	226.97023	158.2
[M+CH3COO]-	240.98588	172.6
[M+Na-2H]-	202.94670	139.5
[M]+	181.97148	135.2
[M]-	181.97258	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe