CID 3034366

(2r,3r,4s,5r)-2-amino-3,4,5,6-tetrahydroxyhexanal

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

14083
References

113126
Patents

179.07938 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08666 138.6
[M+Na]+ 202.06860 142.6
[M+NH4]+ 197.11320 142.1
[M+K]+ 218.04254 143.4
[M-H]- 178.07210 133.3
[M+Na-2H]- 200.05405 136.4
[M]+ 179.07883 136.7
[M]- 179.07993 136.7
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