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

20
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]+ 118.02634 124.2
[M-H]- 94.029844 117.7
[M+NH4]+ 113.07094 135.3
[M+K]+ 134.00028 123.6
[M+H-H2O]+ 78.034380 102.4
[M+HCOO]- 140.03532 134.7
[M+CH3COO]- 154.05097 177.0
[M+Na-2H]- 116.01179 121.8
[M]+ 95.036571 108.8
[M]- 95.037669 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