CID 46173947

3-amino-2,3-dideoxy-scyllo-inosose

Structural Information

Molecular Formula
C6H11NO4
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](C1=O)O)O)O)N
InChI
InChI=1S/C6H11NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4-6,9-11H,1,7H2/t2-,4+,5-,6-/m0/s1
InChIKey
FSUGCKMUTGKWIE-YGIVHSIPSA-N
Compound name
(2R,3S,4R,5S)-5-amino-2,3,4-trihydroxycyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

161.0688 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.076076 131.5
[M+Na]+ 184.058018 138.7
[M-H]- 160.061524 131.0
[M+NH4]+ 179.102623 150.1
[M+K]+ 200.031958 136.6
[M+H-H2O]+ 144.066060 127.1
[M+HCOO]- 206.067001 149.4
[M+CH3COO]- 220.082651 172.7
[M+Na-2H]- 182.043466 133.2
[M]+ 161.06825142 125.2
[M]- 161.06934858 125.2
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.