CID 469851

Beta-homofuconojirimycin

Structural Information

Molecular Formula
C7H15NO4
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
InChI
InChI=1S/C7H15NO4/c1-3-5(10)7(12)6(11)4(2-9)8-3/h3-12H,2H2,1H3/t3-,4+,5+,6+,7+/m0/s1
InChIKey
ZEWFPWKROPWRKE-CQOGJGKDSA-N
Compound name
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methylpiperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

44
Patents

177.10011 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.10739 139.9
[M+Na]+ 200.08933 146.4
[M-H]- 176.09283 135.5
[M+NH4]+ 195.13393 155.8
[M+K]+ 216.06327 143.2
[M+H-H2O]+ 160.09737 135.1
[M+HCOO]- 222.09831 152.5
[M+CH3COO]- 236.11396 170.0
[M+Na-2H]- 198.07478 140.7
[M]+ 177.09956 133.3
[M]- 177.10066 133.3
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