CID 49787000

Se-methyl se-l-met

Structural Information

Molecular Formula

C₆H₁₄NO₂Se

SMILES

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

InChI

InChI=1S/C6H13NO2Se/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1/t5-/m0/s1

InChIKey

QALHNGMTIIHGNI-YFKPBYRVSA-O

Compound name

[(3S)-3-amino-3-carboxypropyl]-dimethylselanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 212.01898 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]+	213.02626	145.9
[M+Na]+	235.00820	150.7
[M-H]-	211.01170	144.1
[M+NH4]+	230.05280	165.1
[M+K]+	250.98214	144.8
[M+H-H2O]+	195.01624	143.4
[M+HCOO]-	257.01718	165.1
[M+CH3COO]-	271.03283	172.4
[M+Na-2H]-	232.99365	148.2
[M]+	212.01843	142.7
[M]-	212.01953	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe