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
5
Annotation Hits

356
References

88729
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 158.2
[M+Na]+ 290.12102 161.8
[M-H]- 266.12452 152.0
[M+NH4]+ 285.16562 171.5
[M+K]+ 306.09496 159.5
[M+H-H2O]+ 250.12906 154.3
[M+HCOO]- 312.13000 168.5
[M+CH3COO]- 326.14565 185.8
[M+Na-2H]- 288.10647 157.7
[M]+ 267.13125 152.1
[M]- 267.13235 152.1
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