CID 448297

4-amino-2-octyloxy-6-hydroxymethyl-tetrahydro-pyran-3,5-diol

Structural Information

Molecular Formula
C14H29NO5
SMILES
CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O
InChI
InChI=1S/C14H29NO5/c1-2-3-4-5-6-7-8-19-14-13(18)11(15)12(17)10(9-16)20-14/h10-14,16-18H,2-9,15H2,1H3/t10-,11+,12+,13-,14-/m1/s1
InChIKey
HABUHWBZDNZBSI-MBJXGIAVSA-N
Compound name
(2R,3R,4S,5R,6R)-4-amino-2-(hydroxymethyl)-6-octoxyoxane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.20456 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.21184 172.0
[M+Na]+ 314.19378 175.4
[M-H]- 290.19728 170.6
[M+NH4]+ 309.23838 184.1
[M+K]+ 330.16772 173.5
[M+H-H2O]+ 274.20182 165.5
[M+HCOO]- 336.20276 186.3
[M+CH3COO]- 350.21841 200.2
[M+Na-2H]- 312.17923 170.8
[M]+ 291.20401 171.5
[M]- 291.20511 171.5
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.