CID 20055569

54662-27-0

Structural Information

Molecular Formula
C8H19NO6
SMILES
C(CO)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C8H19NO6/c10-2-1-9-3-5(12)7(14)8(15)6(13)4-11/h5-15H,1-4H2/t5-,6+,7+,8+/m0/s1
InChIKey
VQSVOQJUFSROBP-LXGUWJNJSA-N
Compound name
(2R,3R,4R,5S)-6-(2-hydroxyethylamino)hexane-1,2,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

225.12123 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12851 152.0
[M+Na]+ 248.11045 153.5
[M-H]- 224.11395 143.3
[M+NH4]+ 243.15505 164.9
[M+K]+ 264.08439 152.8
[M+H-H2O]+ 208.11849 146.5
[M+HCOO]- 270.11943 164.4
[M+CH3COO]- 284.13508 180.2
[M+Na-2H]- 246.09590 149.9
[M]+ 225.12068 147.7
[M]- 225.12178 147.7
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

patents stripe