CID 86750346

188069-24-1

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1[C@H]([C@@H](CO1)O)C#N
InChI
InChI=1S/C5H7NO2/c6-1-4-2-8-3-5(4)7/h4-5,7H,2-3H2/t4-,5-/m1/s1
InChIKey
KZVPMNPHZILVPO-RFZPGFLSSA-N
Compound name
(3R,4S)-4-hydroxyoxolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

113.047676 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 118.0
[M+Na]+ 136.036894 127.8
[M-H]- 112.040400 120.7
[M+NH4]+ 131.081499 138.3
[M+K]+ 152.010834 127.0
[M+H-H2O]+ 96.044936 106.9
[M+HCOO]- 158.045877 136.4
[M+CH3COO]- 172.061527 177.8
[M+Na-2H]- 134.022342 124.1
[M]+ 113.04712742 111.5
[M]- 113.04822458 111.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe