CID 199806

1-glucopyranosylpiperidine

Structural Information

Molecular Formula
C11H21NO5
SMILES
C1CCN(CC1)C2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C11H21NO5/c13-6-7-8(14)9(15)10(16)11(17-7)12-4-2-1-3-5-12/h7-11,13-16H,1-6H2/t7-,8-,9+,10-,11?/m1/s1
InChIKey
OJJCMRSZEJYHPZ-YBTJCZCISA-N
Compound name
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-piperidin-1-yloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

247.14197 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14925 158.1
[M+Na]+ 270.13119 161.5
[M-H]- 246.13469 157.8
[M+NH4]+ 265.17579 169.9
[M+K]+ 286.10513 159.8
[M+H-H2O]+ 230.13923 151.3
[M+HCOO]- 292.14017 167.4
[M+CH3COO]- 306.15582 184.0
[M+Na-2H]- 268.11664 158.0
[M]+ 247.14142 150.3
[M]- 247.14252 150.3
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