CID 24496

Selenohomocystine

Structural Information

Molecular Formula

C₈H₁₆N₂O₄Se₂

SMILES

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

InChI

InChI=1S/C8H16N2O4Se2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)

InChIKey

NBQXBIDZPLKFHR-UHFFFAOYSA-N

Compound name

2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 38
Patents: 363.94406 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]+	364.95134	174.3
[M+Na]+	386.93328	176.9
[M+NH4]+	381.97788	176.9
[M+K]+	402.90722	175.2
[M-H]-	362.93678	169.8
[M+Na-2H]-	384.91873	170.5
[M]+	363.94351	172.4
[M]-	363.94461	172.4

Literature stripe

literature stripe

Patent stripe

patents stripe