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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.95134 180.7
[M+Na]+ 386.93328 182.1
[M-H]- 362.93678 175.3
[M+NH4]+ 381.97788 194.1
[M+K]+ 402.90722 180.5
[M+H-H2O]+ 346.94132 173.0
[M+HCOO]- 408.94226 196.8
[M+CH3COO]- 422.95791 197.7
[M+Na-2H]- 384.91873 175.2
[M]+ 363.94351 177.6
[M]- 363.94461 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe