CID 84266

14216-22-9

Structural Information

Molecular Formula
C8H19NO5
SMILES
CCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C8H19NO5/c1-2-9-3-5(11)7(13)8(14)6(12)4-10/h5-14H,2-4H2,1H3/t5-,6+,7+,8+/m0/s1
InChIKey
IKXCHOUDIPZROZ-LXGUWJNJSA-N
Compound name
(2R,3R,4R,5S)-6-(ethylamino)hexane-1,2,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5197
Patents

209.12633 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.13361 149.9
[M+Na]+ 232.11555 152.0
[M-H]- 208.11905 142.7
[M+NH4]+ 227.16015 164.3
[M+K]+ 248.08949 151.4
[M+H-H2O]+ 192.12359 144.6
[M+HCOO]- 254.12453 163.6
[M+CH3COO]- 268.14018 180.0
[M+Na-2H]- 230.10100 148.2
[M]+ 209.12578 146.1
[M]- 209.12688 146.1
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