CID 12276796

5,6-dihydro-1,4-dioxine-2-carbonitrile

Structural Information

Molecular Formula
C5H5NO2
SMILES
C1COC(=CO1)C#N
InChI
InChI=1S/C5H5NO2/c6-3-5-4-7-1-2-8-5/h4H,1-2H2
InChIKey
KVUINIWJOLRKFT-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-dioxine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.03203 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 122.9
[M+Na]+ 134.02125 134.8
[M+NH4]+ 129.06585 128.3
[M+K]+ 149.99519 126.7
[M-H]- 110.02475 119.8
[M+Na-2H]- 132.00670 126.2
[M]+ 111.03148 122.9
[M]- 111.03258 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.