CID 151939

14904-83-7

Structural Information

Molecular Formula
C6H11NO5
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(=O)N1)O)O)O)O
InChI
InChI=1S/C6H11NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-5,8-11H,1H2,(H,7,12)/t2-,3-,4+,5-/m1/s1
InChIKey
AJJXPYDGVXIEHE-SQOUGZDYSA-N
Compound name
(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

177.06372 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07100 136.4
[M+Na]+ 200.05294 143.5
[M-H]- 176.05644 132.2
[M+NH4]+ 195.09754 152.1
[M+K]+ 216.02688 140.5
[M+H-H2O]+ 160.06098 131.6
[M+HCOO]- 222.06192 149.8
[M+CH3COO]- 236.07757 168.6
[M+Na-2H]- 198.03839 137.9
[M]+ 177.06317 130.2
[M]- 177.06427 130.2
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