CID 3075387

178563-31-0

Structural Information

Molecular Formula
C8H17NO5
SMILES
CN(C)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C8H17NO5/c1-9(2)8-7(13)6(12)5(11)4(3-10)14-8/h4-8,10-13H,3H2,1-2H3/t4-,5-,6+,7-,8-/m1/s1
InChIKey
YWLWQPWGBZWCCB-JAJWTYFOSA-N
Compound name
(2R,3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

207.11067 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.117946 145.1
[M+Na]+ 230.099888 150.9
[M-H]- 206.103394 145.5
[M+NH4]+ 225.144493 160.9
[M+K]+ 246.073828 151.3
[M+H-H2O]+ 190.107930 139.9
[M+HCOO]- 252.108871 161.1
[M+CH3COO]- 266.124521 183.6
[M+Na-2H]- 228.085336 146.7
[M]+ 207.11012142 142.8
[M]- 207.11121858 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe