CID 475539

N-3-oxadecyl-1-deoxynojirimycin

Structural Information

Molecular Formula
C15H31NO5
SMILES
CCCCCCCOCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
InChI
InChI=1S/C15H31NO5/c1-2-3-4-5-6-8-21-9-7-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
InChIKey
QDPCLGHZXWCAQE-LXTVHRRPSA-N
Compound name
(2R,3R,4R,5S)-1-(2-heptoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

305.2202 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.22748 176.0
[M+Na]+ 328.20942 179.2
[M-H]- 304.21292 171.4
[M+NH4]+ 323.25402 187.3
[M+K]+ 344.18336 175.8
[M+H-H2O]+ 288.21746 169.2
[M+HCOO]- 350.21840 187.7
[M+CH3COO]- 364.23405 198.6
[M+Na-2H]- 326.19487 173.5
[M]+ 305.21965 175.6
[M]- 305.22075 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.