CID 16066800

Osl-95ii

Structural Information

Molecular Formula
C17H33NO5
SMILES
C1CCC(CC1)(CCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)O
InChI
InChI=1S/C17H33NO5/c19-12-13-15(21)16(22)14(20)11-18(13)10-6-2-5-9-17(23)7-3-1-4-8-17/h13-16,19-23H,1-12H2/t13-,14+,15-,16-/m1/s1
InChIKey
FQNCRPHSICYZQC-QKPAOTATSA-N
Compound name
(2R,3R,4R,5S)-1-[5-(1-hydroxycyclohexyl)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

331.23587 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.24315 183.2
[M+Na]+ 354.22509 184.3
[M-H]- 330.22859 179.9
[M+NH4]+ 349.26969 194.1
[M+K]+ 370.19903 180.2
[M+H-H2O]+ 314.23313 176.6
[M+HCOO]- 376.23407 189.7
[M+CH3COO]- 390.24972 199.1
[M+Na-2H]- 352.21054 180.3
[M]+ 331.23532 175.4
[M]- 331.23642 175.4
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