CID 172879866

Chebi:82953

Structural Information

Molecular Formula
C10H19NO11S
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](CO)NC=O)O)OS(=O)(=O)O)O)O
InChI
InChI=1S/C10H19NO11S/c12-1-5(11-4-14)3-20-10-8(16)9(22-23(17,18)19)7(15)6(2-13)21-10/h4-10,12-13,15-16H,1-3H2,(H,11,14)(H,17,18,19)/t5-,6-,7+,8-,9+,10-/m1/s1
InChIKey
VDUKSCUGEVDTNR-WJACCPHDSA-N
Compound name
[(2R,3R,4S,5S,6R)-2-[(2R)-2-formamido-3-hydroxypropoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.06787 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.07515 168.7
[M+Na]+ 384.05709 170.9
[M-H]- 360.06059 165.0
[M+NH4]+ 379.10169 175.8
[M+K]+ 400.03103 170.9
[M+H-H2O]+ 344.06513 162.4
[M+HCOO]- 406.06607 175.8
[M+CH3COO]- 420.08172 202.7
[M+Na-2H]- 382.04254 170.0
[M]+ 361.06732 171.5
[M]- 361.06842 171.5
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.