CID 5287668

2-(acetylamino)-2-deoxy-6-o-methyl-alpha-d-allopyranose

Structural Information

Molecular Formula
C8H12N2O4
SMILES
C=NC1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O
InChI
InChI=1S/C8H12N2O4/c1-9-8-10-4-6(13)5(12)3(2-11)7(4)14-8/h3-7,11-13H,1-2H2/t3-,4-,5-,6-,7+/m1/s1
InChIKey
YJMIXNAZGREWGZ-GKHCUFPYSA-N
Compound name
(3aR,4R,5R,6R,6aS)-6-(hydroxymethyl)-2-(methylideneamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.07971 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08699 140.4
[M+Na]+ 223.06893 149.2
[M-H]- 199.07243 142.4
[M+NH4]+ 218.11353 160.5
[M+K]+ 239.04287 148.1
[M+H-H2O]+ 183.07697 135.9
[M+HCOO]- 245.07791 160.4
[M+CH3COO]- 259.09356 181.1
[M+Na-2H]- 221.05438 143.4
[M]+ 200.07916 140.6
[M]- 200.08026 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.