CID 5113487

2-oxooxolane-3-carbonitrile

Structural Information

Molecular Formula
C5H5NO2
SMILES
C1COC(=O)C1C#N
InChI
InChI=1S/C5H5NO2/c6-3-4-1-2-8-5(4)7/h4H,1-2H2
InChIKey
WYTQEBFRBDRPOE-UHFFFAOYSA-N
Compound name
2-oxooxolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

111.03203 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 116.3
[M+Na]+ 134.02125 126.7
[M-H]- 110.02475 120.3
[M+NH4]+ 129.06585 137.3
[M+K]+ 149.99519 126.2
[M+H-H2O]+ 94.029290 105.1
[M+HCOO]- 156.03023 136.3
[M+CH3COO]- 170.04588 179.4
[M+Na-2H]- 132.00670 122.9
[M]+ 111.03148 110.9
[M]- 111.03258 110.9
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

patents stripe