CID 98223

Selenocystathionine

Structural Information

Molecular Formula
C7H14N2O4Se
SMILES
C(C[Se]CC(C(=O)O)N)C(C(=O)O)N
InChI
InChI=1S/C7H14N2O4Se/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
InChIKey
ZNWYDQPOUQRDLY-UHFFFAOYSA-N
Compound name
2-amino-4-(2-amino-2-carboxyethyl)selanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

269
Patents

270.01187 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.01915 156.3
[M+Na]+ 293.00109 159.6
[M+NH4]+ 288.04569 159.5
[M+K]+ 308.97503 158.9
[M-H]- 269.00459 152.1
[M+Na-2H]- 290.98654 153.7
[M]+ 270.01132 154.6
[M]- 270.01242 154.6
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