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
4
Annotation Hits

13
References

39415
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 141.4
[M+Na]+ 204.08424 144.3
[M-H]- 180.08774 134.0
[M+NH4]+ 199.12884 156.6
[M+K]+ 220.05818 143.8
[M+H-H2O]+ 164.09228 136.4
[M+HCOO]- 226.09322 155.0
[M+CH3COO]- 240.10887 173.6
[M+Na-2H]- 202.06969 139.5
[M]+ 181.09447 135.7
[M]- 181.09557 135.7
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