CID 361517

Sargassum arseno-sugar 1

Structural Information

Molecular Formula
C11H24AsO9S
SMILES
C[As+](C)(C)CC1C(C(C(O1)OCC(COS(=O)(=O)O)O)O)O
InChI
InChI=1S/C11H23AsO9S/c1-12(2,3)4-8-9(14)10(15)11(21-8)19-5-7(13)6-20-22(16,17)18/h7-11,13-15H,4-6H2,1-3H3/p+1
InChIKey
HODADOUXMBRBNQ-UHFFFAOYSA-O
Compound name
[3,4-dihydroxy-5-(2-hydroxy-3-sulfooxypropoxy)oxolan-2-yl]methyl-trimethylarsanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.0357 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.04298 182.8
[M+Na]+ 430.02492 185.8
[M-H]- 406.02842 180.8
[M+NH4]+ 425.06952 193.1
[M+K]+ 445.99886 180.0
[M+H-H2O]+ 390.03296 180.9
[M+HCOO]- 452.03390 189.3
[M+CH3COO]- 466.04955 193.0
[M+Na-2H]- 428.01037 185.6
[M]+ 407.03515 186.1
[M]- 407.03625 186.1
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

No patent data available for this compound.