CID 164683

Kanosamine

Structural Information

Molecular Formula
C6H13NO5
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)O)N)O)O)O
InChI
InChI=1S/C6H13NO5/c7-5(3(10)1-8)6(12)4(11)2-9/h1,3-6,9-12H,2,7H2/t3-,4+,5+,6+/m0/s1
InChIKey
FOEXHEVNPRRHDY-SLPGGIOYSA-N
Compound name
(2R,3S,4S,5R)-3-amino-2,4,5,6-tetrahydroxyhexanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

25
References

883
Patents

179.07938 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.086656 139.5
[M+Na]+ 202.068598 143.2
[M-H]- 178.072104 133.6
[M+NH4]+ 197.113203 155.5
[M+K]+ 218.042538 142.9
[M+H-H2O]+ 162.076640 134.5
[M+HCOO]- 224.077581 154.9
[M+CH3COO]- 238.093231 174.8
[M+Na-2H]- 200.054046 138.3
[M]+ 179.07883142 135.1
[M]- 179.07992858 135.1
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

patents stripe