CID 43156631

3-(2-methylfuran-3-yl)-3-oxo-2-phenylpropanenitrile

Structural Information

Molecular Formula
C14H11NO2
SMILES
CC1=C(C=CO1)C(=O)C(C#N)C2=CC=CC=C2
InChI
InChI=1S/C14H11NO2/c1-10-12(7-8-17-10)14(16)13(9-15)11-5-3-2-4-6-11/h2-8,13H,1H3
InChIKey
FUDOQXMBZAJEQO-UHFFFAOYSA-N
Compound name
3-(2-methylfuran-3-yl)-3-oxo-2-phenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.07898 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 154.2
[M+Na]+ 248.06820 164.0
[M-H]- 224.07170 160.1
[M+NH4]+ 243.11280 170.4
[M+K]+ 264.04214 160.3
[M+H-H2O]+ 208.07624 140.7
[M+HCOO]- 270.07718 173.3
[M+CH3COO]- 284.09283 200.6
[M+Na-2H]- 246.05365 156.8
[M]+ 225.07843 150.4
[M]- 225.07953 150.4
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.