CID 6334576

Blt

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	383.998776	177.0
[M+Na]+	405.980718	179.3
[M-H]-	381.984224	171.1
[M+NH4]+	401.025323	188.1
[M+K]+	421.954658	177.2
[M+H-H2O]+	365.988760	172.1
[M+HCOO]-	427.989701	182.2
[M+CH3COO]-	442.005351	191.4
[M+Na-2H]-	403.966166	172.6
[M]+	382.99095142	177.1
[M]-	382.99204858	177.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe