CID 25076

Alanine, 3-selenyl-

Structural Information

Molecular Formula

C₃H₇NO₂Se

SMILES

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

InChI

InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1

InChIKey

ZKZBPNGNEQAJSX-REOHCLBHSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 40592
Patents: 168.9642 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]+	169.97148	132.8
[M+Na]+	191.95342	138.9
[M-H]-	167.95692	131.0
[M+NH4]+	186.99802	153.9
[M+K]+	207.92736	138.7
[M+H-H2O]+	151.96146	127.7
[M+HCOO]-	213.96240	154.0
[M+CH3COO]-	227.97805	169.6
[M+Na-2H]-	189.93887	135.6
[M]+	168.96365	130.4
[M]-	168.96475	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe