CID 16665047

(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile

Structural Information

Molecular Formula
C6H9NO3
SMILES
C1[C@@H](O[C@@H]([C@H]1O)CO)C#N
InChI
InChI=1S/C6H9NO3/c7-2-4-1-5(9)6(3-8)10-4/h4-6,8-9H,1,3H2/t4-,5+,6-/m1/s1
InChIKey
FXOCGLGSNBTIAA-NGJCXOISSA-N
Compound name
(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

143.05824 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 125.2
[M+Na]+ 166.04746 134.9
[M-H]- 142.05096 126.9
[M+NH4]+ 161.09206 144.0
[M+K]+ 182.02140 133.7
[M+H-H2O]+ 126.05550 114.3
[M+HCOO]- 188.05644 142.2
[M+CH3COO]- 202.07209 181.1
[M+Na-2H]- 164.03291 129.8
[M]+ 143.05769 119.0
[M]- 143.05879 119.0
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.