CID 82756

10597-89-4

Structural Information

Molecular Formula
C11H19NO8
SMILES
C[C@H](C(=O)O)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O
InChI
InChI=1S/C11H19NO8/c1-5(11(18)19)20-10(9(17)8(16)4-14)7(3-13)12-6(2)15/h3,5,7-10,14,16-17H,4H2,1-2H3,(H,12,15)(H,18,19)/t5-,7+,8-,9-,10-/m1/s1
InChIKey
SOARVSUSWULNDI-TVVSKHENSA-N
Compound name
(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

110
References

2
Patents

293.11105 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11833 164.5
[M+Na]+ 316.10027 165.4
[M+NH4]+ 311.14487 185.7
[M+K]+ 332.07421 168.9
[M-H]- 292.10377 156.3
[M+Na-2H]- 314.08572 159.1
[M]+ 293.11050 161.0
[M]- 293.11160 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe