CID 156908032

80185-44-0

Structural Information

Molecular Formula
C11H19NO8
SMILES
C1[C@H](CN[C@@H]1C(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C11H19NO8/c13-3-6-7(14)8(15)9(16)11(20-6)19-4-1-5(10(17)18)12-2-4/h4-9,11-16H,1-3H2,(H,17,18)/t4-,5+,6-,7+,8+,9-,11-/m1/s1
InChIKey
OJEYXWIZDRJBDC-OXZULGGVSA-N
Compound name
(2S,4R)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.11105 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11833 163.3
[M+Na]+ 316.10027 166.7
[M-H]- 292.10377 160.9
[M+NH4]+ 311.14487 173.3
[M+K]+ 332.07421 165.3
[M+H-H2O]+ 276.10831 157.6
[M+HCOO]- 338.10925 171.3
[M+CH3COO]- 352.12490 188.4
[M+Na-2H]- 314.08572 160.0
[M]+ 293.11050 157.5
[M]- 293.11160 157.5
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

No patent data available for this compound.