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]+ 201.086986 140.4
[M+Na]+ 223.068928 149.2
[M-H]- 199.072434 142.4
[M+NH4]+ 218.113533 160.5
[M+K]+ 239.042868 148.1
[M+H-H2O]+ 183.076970 135.9
[M+HCOO]- 245.077911 160.4
[M+CH3COO]- 259.093561 181.1
[M+Na-2H]- 221.054376 143.4
[M]+ 200.07916142 140.6
[M]- 200.08025858 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.