CID 779538

32888-30-5

Structural Information

Molecular Formula

C₁₅H₁₁NO₃

SMILES

COC(=O)/C(=C/C1=CC=C(O1)C2=CC=CC=C2)/C#N

InChI

InChI=1S/C15H11NO3/c1-18-15(17)12(10-16)9-13-7-8-14(19-13)11-5-3-2-4-6-11/h2-9H,1H3/b12-9+

InChIKey

DINNHRVANSTSLO-FMIVXFBMSA-N

Compound name

methyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 253.0739 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.081176	161.4
[M+Na]+	276.063118	171.1
[M-H]-	252.066624	167.3
[M+NH4]+	271.107723	176.6
[M+K]+	292.037058	167.2
[M+H-H2O]+	236.071160	147.6
[M+HCOO]-	298.072101	180.6
[M+CH3COO]-	312.087751	203.2
[M+Na-2H]-	274.048566	163.5
[M]+	253.07335142	158.5
[M]-	253.07444858	158.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.