CID 147004

Se-methylselenocysteine

Structural Information

Molecular Formula

C₄H₉NO₂Se

SMILES

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

InChI

InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

InChIKey

XDSSPSLGNGIIHP-VKHMYHEASA-N

Compound name

(2R)-2-amino-3-methylselanylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 230
References: 1511
Patents: 182.97984 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]+	183.98712	137.4
[M+Na]+	205.96906	143.1
[M-H]-	181.97256	135.4
[M+NH4]+	201.01366	157.9
[M+K]+	221.94300	142.6
[M+H-H2O]+	165.97710	132.1
[M+HCOO]-	227.97804	158.4
[M+CH3COO]-	241.99369	172.7
[M+Na-2H]-	203.95451	139.7
[M]+	182.97929	135.4
[M]-	182.98039	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe