CID 444020

Voglibose

Structural Information

Molecular Formula
C10H21NO7
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO
InChI
InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1
InChIKey
FZNCGRZWXLXZSZ-CIQUZCHMSA-N
Compound name
(1S,2S,3R,4S,5S)-5-(1,3-dihydroxypropan-2-ylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

355
References

82354
Patents

267.1318 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13908 157.1
[M+Na]+ 290.12102 160.7
[M+NH4]+ 285.16562 161.0
[M+K]+ 306.09496 159.5
[M-H]- 266.12452 152.6
[M+Na-2H]- 288.10647 155.7
[M]+ 267.13125 155.5
[M]- 267.13235 155.5
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