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]+ 178.10739 137.6
[M+Na]+ 200.08933 143.4
[M-H]- 176.09283 139.2
[M+NH4]+ 195.13393 155.1
[M+K]+ 216.06327 144.3
[M+H-H2O]+ 160.09737 132.4
[M+HCOO]- 222.09831 155.3
[M+CH3COO]- 236.11396 179.1
[M+Na-2H]- 198.07478 140.8
[M]+ 177.09956 134.9
[M]- 177.10066 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.