CID 131751525

(3r)-3,4-dihydroxy-3-(hydroxymethyl)butanenitrile 4-glucoside

Structural Information

Molecular Formula
C11H19NO8
SMILES
C(C#N)C(CO)(COC1C(C(C(C(O1)CO)O)O)O)O
InChI
InChI=1S/C11H19NO8/c12-2-1-11(18,4-14)5-19-10-9(17)8(16)7(15)6(3-13)20-10/h6-10,13-18H,1,3-5H2
InChIKey
NYBBODHIFBLFMJ-UHFFFAOYSA-N
Compound name
3-hydroxy-3-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

293.11105 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11833 159.8
[M+Na]+ 316.10027 164.5
[M+NH4]+ 311.14487 159.0
[M+K]+ 332.07421 162.1
[M-H]- 292.10377 149.2
[M+Na-2H]- 314.08572 155.1
[M]+ 293.11050 155.9
[M]- 293.11160 155.9
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

No patent data available for this compound.