CID 23837

7370-58-3

Structural Information

Molecular Formula

C₆H₁₀O₄Se₂

SMILES

C(C[Se][Se]CCC(=O)O)C(=O)O

InChI

InChI=1S/C6H10O4Se2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)

InChIKey

AXJLEYVRLPNPGF-UHFFFAOYSA-N

Compound name

3-(2-carboxyethyldiselanyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 93
Patents: 305.89096 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]+	306.89824	163.4
[M+Na]+	328.88018	167.9
[M-H]-	304.88368	159.4
[M+NH4]+	323.92478	180.7
[M+K]+	344.85412	166.3
[M+H-H2O]+	288.88822	157.2
[M+HCOO]-	350.88916	181.4
[M+CH3COO]-	364.90481	180.4
[M+Na-2H]-	326.86563	163.2
[M]+	305.89041	164.7
[M]-	305.89151	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe