CID 17754171

Dioxyselenocysteine

Structural Information

Molecular Formula
C3H6NO4Se
SMILES
C([C@@H](C(=O)O)N)[Se](=O)=O
InChI
InChI=1S/C3H6NO4Se/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey
CFDIKEIPXZDMLP-REOHCLBHSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

199.9462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.953476 135.7
[M+Na]+ 222.935418 142.0
[M-H]- 198.938924 133.9
[M+NH4]+ 217.980023 155.2
[M+K]+ 238.909358 142.0
[M+H-H2O]+ 182.943460 130.3
[M+HCOO]- 244.944401 156.8
[M+CH3COO]- 258.960051 173.1
[M+Na-2H]- 220.920866 137.3
[M]+ 199.94565142 134.1
[M]- 199.94674858 134.1
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