CID 15104

Selenocystine

Structural Information

Molecular Formula
C6H12N2O4Se2
SMILES
C(C(C(=O)O)N)[Se][Se]CC(C(=O)O)N
InChI
InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
InChIKey
JULROCUWKLNBSN-UHFFFAOYSA-N
Compound name
2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

178
References

1615
Patents

335.91275 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.92003 165.8
[M+Na]+ 358.90197 168.7
[M+NH4]+ 353.94657 168.6
[M+K]+ 374.87591 167.5
[M-H]- 334.90547 161.4
[M+Na-2H]- 356.88742 162.4
[M]+ 335.91220 163.9
[M]- 335.91330 163.9
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

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