CID 3075401

179902-33-1

Structural Information

Molecular Formula
C7H15NO4
SMILES
CN(C)C1[C@@H]([C@H]([C@@H](CO1)O)O)O
InChI
InChI=1S/C7H15NO4/c1-8(2)7-6(11)5(10)4(9)3-12-7/h4-7,9-11H,3H2,1-2H3/t4-,5+,6-,7?/m1/s1
InChIKey
QBNXUYDHVYQIPQ-JFRCYRBUSA-N
Compound name
(3R,4S,5R)-2-(dimethylamino)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.10011 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.107386 137.6
[M+Na]+ 200.089328 143.4
[M-H]- 176.092834 139.2
[M+NH4]+ 195.133933 155.1
[M+K]+ 216.063268 144.3
[M+H-H2O]+ 160.097370 132.4
[M+HCOO]- 222.098311 155.3
[M+CH3COO]- 236.113961 179.1
[M+Na-2H]- 198.074776 140.8
[M]+ 177.09956142 134.9
[M]- 177.10065858 134.9
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

No patent data available for this compound.