CID 3053710

Alpha-dl-threo-pentopyranoside, methyl 3,4-dideoxy-3-(dimethylamino)-, 2-acetate

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(=O)O[C@H]1[C@@H](CCO[C@@H]1OC)N(C)C
InChI
InChI=1S/C10H19NO4/c1-7(12)15-9-8(11(2)3)5-6-14-10(9)13-4/h8-10H,5-6H2,1-4H3/t8-,9+,10+/m1/s1
InChIKey
OVIQLUMTMWUMQG-UTLUCORTSA-N
Compound name
[(2S,3S,4R)-4-(dimethylamino)-2-methoxyoxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.13141 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 148.4
[M+Na]+ 240.12063 153.5
[M-H]- 216.12413 153.6
[M+NH4]+ 235.16523 166.2
[M+K]+ 256.09457 156.3
[M+H-H2O]+ 200.12867 142.1
[M+HCOO]- 262.12961 169.0
[M+CH3COO]- 276.14526 193.8
[M+Na-2H]- 238.10608 151.2
[M]+ 217.13086 150.7
[M]- 217.13196 150.7
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.