CID 448295

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

Structural Information

Molecular Formula
C12H25NO5
SMILES
CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O
InChI
InChI=1S/C12H25NO5/c1-2-3-4-5-6-17-12-11(16)9(13)10(15)8(7-14)18-12/h8-12,14-16H,2-7,13H2,1H3/t8-,9+,10+,11-,12-/m1/s1
InChIKey
MSXUDXAZMKOOST-YBXAARCKSA-N
Compound name
(2R,3R,4S,5R,6R)-4-amino-2-hexoxy-6-(hydroxymethyl)oxane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.17328 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.18056 163.2
[M+Na]+ 286.16250 167.4
[M-H]- 262.16600 162.2
[M+NH4]+ 281.20710 176.4
[M+K]+ 302.13644 166.0
[M+H-H2O]+ 246.17054 157.0
[M+HCOO]- 308.17148 178.2
[M+CH3COO]- 322.18713 194.2
[M+Na-2H]- 284.14795 162.9
[M]+ 263.17273 162.0
[M]- 263.17383 162.0
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.