CID 91810671

Kx2b81v402

Structural Information

Molecular Formula
C10H15NO6S
SMILES
CC(=O)N[C@@H](CS[C@H]1CC(=O)O[C@@H]1CO)C(=O)O
InChI
InChI=1S/C10H15NO6S/c1-5(13)11-6(10(15)16)4-18-8-2-9(14)17-7(8)3-12/h6-8,12H,2-4H2,1H3,(H,11,13)(H,15,16)/t6-,7+,8-/m0/s1
InChIKey
QCIWAHRSCPTINM-RNJXMRFFSA-N
Compound name
(2R)-2-acetamido-3-[(2R,3S)-2-(hydroxymethyl)-5-oxooxolan-3-yl]sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.062 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.06928 162.7
[M+Na]+ 300.05122 166.6
[M+NH4]+ 295.09582 166.4
[M+K]+ 316.02516 166.1
[M-H]- 276.05472 160.7
[M+Na-2H]- 298.03667 160.2
[M]+ 277.06145 162.3
[M]- 277.06255 162.3
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.