CID 501392

N-septyl-dgj

Structural Information

Molecular Formula
C13H27NO4
SMILES
CCCCCCCN1C[C@@H]([C@H]([C@H]([C@H]1CO)O)O)O
InChI
InChI=1S/C13H27NO4/c1-2-3-4-5-6-7-14-8-11(16)13(18)12(17)10(14)9-15/h10-13,15-18H,2-9H2,1H3/t10-,11+,12+,13-/m1/s1
InChIKey
MBQCNYZEYQQTEE-MROQNXINSA-N
Compound name
(2R,3S,4R,5S)-1-heptyl-2-(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.194 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.20128 165.2
[M+Na]+ 284.18322 169.5
[M-H]- 260.18672 161.1
[M+NH4]+ 279.22782 178.5
[M+K]+ 300.15716 165.9
[M+H-H2O]+ 244.19126 159.1
[M+HCOO]- 306.19220 177.4
[M+CH3COO]- 320.20785 190.3
[M+Na-2H]- 282.16867 163.6
[M]+ 261.19345 162.7
[M]- 261.19455 162.7
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.