CID 503978

(2r,3r,4r,5s)-1-(6,6-dimethylnorpinan-2-yl)-2-(hydroxymethyl)piperidine-3,4,5-triol

Structural Information

Molecular Formula
C15H27NO4
SMILES
CC1(C2CCC(C1C2)N3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O)C
InChI
InChI=1S/C15H27NO4/c1-15(2)8-3-4-10(9(15)5-8)16-6-12(18)14(20)13(19)11(16)7-17/h8-14,17-20H,3-7H2,1-2H3/t8?,9?,10?,11-,12+,13-,14-/m1/s1
InChIKey
JTBYQCFOBZAWPG-LSJIOULJSA-N
Compound name
(2R,3R,4R,5S)-1-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.194 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.20128 181.2
[M+Na]+ 308.18322 184.0
[M-H]- 284.18672 176.1
[M+NH4]+ 303.22782 193.0
[M+K]+ 324.15716 183.7
[M+H-H2O]+ 268.19126 171.8
[M+HCOO]- 330.19220 182.8
[M+CH3COO]- 344.20785 202.7
[M+Na-2H]- 306.16867 183.2
[M]+ 285.19345 187.6
[M]- 285.19455 187.6
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.