CID 11564307

76326-99-3

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4276
Patents

209.12633 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.13361 149.7
[M+Na]+ 232.11555 152.1
[M-H]- 208.11905 144.0
[M+NH4]+ 227.16015 164.8
[M+K]+ 248.08949 152.9
[M+H-H2O]+ 192.12359 144.5
[M+HCOO]- 254.12453 163.9
[M+CH3COO]- 268.14018 183.2
[M+Na-2H]- 230.10100 147.3
[M]+ 209.12578 147.1
[M]- 209.12688 147.1
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