CID 452501

D-glucamine

Structural Information

Molecular Formula
C6H15NO5
SMILES
C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)N
InChI
InChI=1S/C6H15NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2,7H2/t3-,4+,5+,6+/m0/s1
InChIKey
SDOFMBGMRVAJNF-SLPGGIOYSA-N
Compound name
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

34706
Patents

181.09502 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.10230 139.6
[M+Na]+ 204.08424 143.0
[M+NH4]+ 199.12884 143.0
[M+K]+ 220.05818 144.3
[M-H]- 180.08774 134.0
[M+Na-2H]- 202.06969 137.0
[M]+ 181.09447 137.6
[M]- 181.09557 137.6
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

patents stripe