CID 46173947

3-ammonio-2,3-dideoxy-scyllo-inosose(1+)

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]+ 162.07608 131.5
[M+Na]+ 184.05802 138.7
[M-H]- 160.06152 131.0
[M+NH4]+ 179.10262 150.1
[M+K]+ 200.03196 136.6
[M+H-H2O]+ 144.06606 127.1
[M+HCOO]- 206.06700 149.4
[M+CH3COO]- 220.08265 172.7
[M+Na-2H]- 182.04347 133.2
[M]+ 161.06825 125.2
[M]- 161.06935 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.