CID 21648520

5-acetylfuran-2-carbonitrile

Structural Information

Molecular Formula
C7H5NO2
SMILES
CC(=O)C1=CC=C(O1)C#N
InChI
InChI=1S/C7H5NO2/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3
InChIKey
QLVSENJSZBDVEW-UHFFFAOYSA-N
Compound name
5-acetylfuran-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

135.03203 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.03931 126.2
[M+Na]+ 158.02125 137.3
[M+NH4]+ 153.06585 130.8
[M+K]+ 173.99519 131.2
[M-H]- 134.02475 120.9
[M+Na-2H]- 156.00670 128.9
[M]+ 135.03148 125.3
[M]- 135.03258 125.3
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