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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 161.4
[M+Na]+ 276.06312 171.1
[M-H]- 252.06662 167.3
[M+NH4]+ 271.10772 176.6
[M+K]+ 292.03706 167.2
[M+H-H2O]+ 236.07116 147.6
[M+HCOO]- 298.07210 180.6
[M+CH3COO]- 312.08775 203.2
[M+Na-2H]- 274.04857 163.5
[M]+ 253.07335 158.5
[M]- 253.07445 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.