CID 159496

A-homonojirimycin

Structural Information

Molecular Formula
C7H15NO5
SMILES
C([C@@H]1[C@H](C([C@H]([C@H](N1)CO)O)O)O)O
InChI
InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7?/m1/s1
InChIKey
CLVUFWXGNIFGNC-QTSLKERKSA-N
Compound name
(2R,3R,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

463
Patents

193.09502 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.10230 142.9
[M+Na]+ 216.08424 148.8
[M-H]- 192.08774 137.1
[M+NH4]+ 211.12884 157.3
[M+K]+ 232.05818 145.4
[M+H-H2O]+ 176.09228 138.1
[M+HCOO]- 238.09322 154.2
[M+CH3COO]- 252.10887 170.3
[M+Na-2H]- 214.06969 143.3
[M]+ 193.09447 136.0
[M]- 193.09557 136.0
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.