CID 6334576

Structural Information

Molecular Formula
C9H19O9SSe
SMILES
C1[C@H]([C@@H]([C@H]([Se]1C[C@@H]([C@@H](CO)OS(=O)(=O)O)O)CO)O)O
InChI
InChI=1S/C9H19O9SSe/c10-1-7(18-19(15,16)17)5(12)3-20-4-6(13)9(14)8(20)2-11/h5-14H,1-4H2,(H,15,16,17)/t5-,6+,7+,8+,9-/m0/s1
InChIKey
HYGBFYHBHUZXSE-CBHQDSPSSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

382.9915 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.99878 177.0
[M+Na]+ 405.98072 179.3
[M-H]- 381.98422 171.1
[M+NH4]+ 401.02532 188.1
[M+K]+ 421.95466 177.2
[M+H-H2O]+ 365.98876 172.1
[M+HCOO]- 427.98970 182.2
[M+CH3COO]- 442.00535 191.4
[M+Na-2H]- 403.96617 172.6
[M]+ 382.99095 177.1
[M]- 382.99205 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe