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]+ 218.138686 148.4
[M+Na]+ 240.120628 153.5
[M-H]- 216.124134 153.6
[M+NH4]+ 235.165233 166.2
[M+K]+ 256.094568 156.3
[M+H-H2O]+ 200.128670 142.1
[M+HCOO]- 262.129611 169.0
[M+CH3COO]- 276.145261 193.8
[M+Na-2H]- 238.106076 151.2
[M]+ 217.13086142 150.7
[M]- 217.13195858 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.