CID 122617

Acetamide, n-[(3s,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-piperidinyl]-

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO
InChI
InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1
InChIKey
GBRAQQUMMCVTAV-LXGUWJNJSA-N
Compound name
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

125
Patents

204.11101 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11829 146.0
[M+Na]+ 227.10023 150.8
[M-H]- 203.10373 142.6
[M+NH4]+ 222.14483 160.8
[M+K]+ 243.07417 148.2
[M+H-H2O]+ 187.10827 140.3
[M+HCOO]- 249.10921 160.1
[M+CH3COO]- 263.12486 178.8
[M+Na-2H]- 225.08568 146.7
[M]+ 204.11046 139.0
[M]- 204.11156 139.0
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