CID 503982

Sp-187 hydrochloride

Structural Information

Molecular Formula
C16H33NO5
SMILES
COCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
InChI
InChI=1S/C16H33NO5/c1-22-10-8-6-4-2-3-5-7-9-17-11-14(19)16(21)15(20)13(17)12-18/h13-16,18-21H,2-12H2,1H3/t13-,14+,15-,16-/m1/s1
InChIKey
TYTARGBBJQKLAJ-QKPAOTATSA-N
Compound name
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(9-methoxynonyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

24
Patents

319.23587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.24315 180.2
[M+Na]+ 342.22509 183.0
[M-H]- 318.22859 175.5
[M+NH4]+ 337.26969 191.0
[M+K]+ 358.19903 179.4
[M+H-H2O]+ 302.23313 173.3
[M+HCOO]- 364.23407 191.6
[M+CH3COO]- 378.24972 201.5
[M+Na-2H]- 340.21054 177.3
[M]+ 319.23532 180.3
[M]- 319.23642 180.3
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