CID 13624042

4,5-dihydrofuran-2-carbonitrile

Structural Information

Molecular Formula
C5H5NO
SMILES
C1COC(=C1)C#N
InChI
InChI=1S/C5H5NO/c6-4-5-2-1-3-7-5/h2H,1,3H2
InChIKey
ZMMRMSTYDMIIAH-UHFFFAOYSA-N
Compound name
2,3-dihydrofuran-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

95.03712 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.044396 113.9
[M+Na]+ 118.026338 124.2
[M-H]- 94.029844 117.7
[M+NH4]+ 113.070943 135.3
[M+K]+ 134.000278 123.6
[M+H-H2O]+ 78.034380 102.4
[M+HCOO]- 140.035321 134.7
[M+CH3COO]- 154.050971 177.0
[M+Na-2H]- 116.011786 121.8
[M]+ 95.03657142 108.8
[M]- 95.03766858 108.8
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