CID 4626626

2(r)-hydroxy-2-methylbutyronitrile-beta-d-glucopyranoside

Structural Information

Molecular Formula
C11H19NO6
SMILES
CCC(C)(C#N)OC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3
InChIKey
WEWBWVMTOYUPHH-UHFFFAOYSA-N
Compound name
2-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

49
References

322
Patents

261.12125 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12853 154.4
[M+Na]+ 284.11047 161.2
[M+NH4]+ 279.15507 155.4
[M+K]+ 300.08441 157.1
[M-H]- 260.11397 145.7
[M+Na-2H]- 282.09592 151.6
[M]+ 261.12070 151.6
[M]- 261.12180 151.6
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.