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 114.2
[M+Na]+ 134.02125 123.7
[M-H]- 110.02475 118.4
[M+NH4]+ 129.06585 132.2
[M+K]+ 149.99519 124.7
[M+H-H2O]+ 94.029290 102.5
[M+HCOO]- 156.03023 132.6
[M+CH3COO]- 170.04588 179.1
[M+Na-2H]- 132.00670 124.4
[M]+ 111.03148 109.1
[M]- 111.03258 109.1
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

No patent data available for this compound.